data_2yu7_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 2yu7 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.7 p-90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.509 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 63' ' ' THR . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.551 HG13 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.415 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CE1' ' HE3' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 46' ' ' SER . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.527 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.53 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.553 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.697 0.285 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.504 ' CE3' HG22 ' A' ' 33' ' ' VAL . 1.5 p-90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.504 HG22 ' CE3' ' A' ' 8' ' ' TRP . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.455 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 97' ' ' ILE . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CB ' HD11 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.42 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG13 ' C ' ' A' ' 75' ' ' THR . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.553 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 1.3 p-90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CG ' ' HE1' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.471 ' HE1' ' CG ' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' NZ ' ' CB ' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.508 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 46' ' ' SER . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.412 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 48' ' ' LEU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' CG2' HD13 ' B' ' 11' ' ' LEU . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.455 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.436 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 65' ' ' ILE . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.7 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.58 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' SD ' ' A' ' 13' ' ' MET . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 89' ' ' VAL . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.58 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.432 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 65' ' ' ILE . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.509 HD21 ' CG ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.435 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 63' ' ' THR . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.459 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.733 0.301 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 13' ' ' MET . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG1' ' NH2' ' A' ' 34' ' ' ARG . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 97' ' ' ILE . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.432 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.534 HG11 ' CE2' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.459 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 89' ' ' VAL . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH2' ' CG1' ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.476 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 51' ' ' GLN . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 63' ' ' THR . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.446 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' GLU . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' CD ' HG11 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.416 HD11 ' CD1' ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.514 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.553 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.553 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' CZ ' HG12 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 34' ' ' ARG . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' CG2' ' HG2' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' GLU . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.542 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.709 0.29 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' NH2' ' CG1' ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 78' ' ' GLY . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 76' ' ' VAL . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.43 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CE3' HG23 ' A' ' 33' ' ' VAL . 1.9 p-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 5.6 t60 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' CG ' HD13 ' A' ' 21' ' ' LEU . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 17' ' ' GLN . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG23 ' CE3' ' A' ' 8' ' ' TRP . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 45' ' ' LEU . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.448 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' GLY . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.538 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 98' ' ' GLU . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.75 0.31 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.8 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' NH2' HG13 ' A' ' 44' ' ' VAL . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.413 HG13 ' NH2' ' A' ' 34' ' ' ARG . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 77' ' ' GLY . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HE3' ' A' ' 13' ' ' MET . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.5 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 63' ' ' THR . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 102' ' ' GLY . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.787 0.327 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' ALA . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 45' ' ' LEU . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 107' ' ' LEU . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 48' ' ' LEU . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.484 ' CG2' ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' GLU . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.484 ' CB ' ' CG2' ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' GLN . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CG ' HD22 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 62' ' ' VAL . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 48' ' ' LEU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.402 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.477 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' A' ' 97' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.412 ' ND1' ' HE2' ' A' ' 13' ' ' MET . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.412 ' HE2' ' ND1' ' A' ' 10' ' ' HIS . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' GLY . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.404 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' HD23 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 74' ' ' TYR . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.514 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.58 ' OE2' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.514 ' CD1' ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.561 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.9 m-70 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 89' ' ' VAL . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 34' ' ' ARG . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' N ' HG11 ' A' ' 33' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' HB ' ' NE ' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' GLY . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 30' ' ' THR . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 89' ' ' VAL . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.413 HG11 ' NH2' ' A' ' 34' ' ' ARG . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.54 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.527 HG13 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.702 0.287 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.49 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD1' ' NH2' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' CD1' ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.439 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CG ' HD21 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.407 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 69.7 43.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -99.65 113.63 26.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.0 -144.45 4.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -92.04 96.26 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -102.9 170.28 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -168.27 39.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.7 p-90 -88.23 -29.16 20.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.509 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p -60.54 -176.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 mt -127.74 -41.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -126.21 6.68 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -102.41 144.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.3 Cg_endo -69.74 116.89 4.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 37.01 48.75 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -118.97 171.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' CG1' ' HE1' ' B' ' 8' ' ' PTR . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.85 -37.13 81.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.98 -67.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.95 -143.03 4.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 88.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.392 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.23 -2.94 2.67 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.416 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p -108.22 154.77 41.12 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 63' ' ' THR . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.22 115.71 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.1 90.4 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.85 -77.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.39 14.13 4.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.27 -179.48 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.551 HG13 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.415 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -84.59 156.1 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -50.84 -58.7 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.16 145.78 9.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.46 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 m -63.74 98.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.9 m -126.53 154.03 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 62.4 p 38.57 34.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.0 172.3 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -122.27 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.86 76.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.456 HD12 ' N ' ' B' ' 6' ' ' ILE . 0.2 OUTLIER -44.94 145.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -96.43 147.37 23.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.413 ' HE1' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.27 139.06 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -119.91 136.12 54.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.443 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -146.83 -175.23 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' LEU . 6.1 pt20 -38.38 -43.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 43.74 41.55 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.06 170.29 12.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.33 55.13 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -136.57 170.95 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t 62.79 41.0 9.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.83 -129.93 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 -61.0 -44.52 97.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CE1' ' HE3' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' CB ' HD13 ' A' ' 37' ' ' LEU . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 46' ' ' SER . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -90.57 124.09 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 14' ' ' SER . 5.5 mp -78.85 -49.78 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -48.73 -53.82 17.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.4 130.6 23.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.63 10.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 43' ' ' PHE . . . 100.15 -35.74 4.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.14 176.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 41' ' ' GLY . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' HE1' ' B' ' 8' ' ' PTR . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.78 -72.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 144.96 -60.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.83 -51.17 0.39 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.656 2.238 . . . . 0.0 112.273 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.88 81.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.0 p -145.02 154.72 55.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t -109.25 117.43 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -91.5 56.9 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.7 63.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.69 -22.11 5.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -125.67 174.51 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.527 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.53 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.553 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 -102.01 -64.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.8 t -154.67 173.22 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.22 139.16 8.71 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.32 2.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.7 m -43.68 -41.14 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.6 m 44.72 34.38 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.34 156.71 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 167.41 28.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -121.24 -12.57 8.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -81.21 125.02 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.93 140.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.5 m -88.47 129.89 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.501 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.32 97.68 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -108.86 102.89 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.77 170.49 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.3 pp0? -53.65 -47.51 70.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.495 ' N ' ' OE1' ' B' ' 14' ' ' GLN . 20.6 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -75.05 126.5 31.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -146.99 117.76 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 167.62 12.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -56.47 121.98 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -99.88 80.57 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.07 173.14 14.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.504 ' CE3' HG22 ' A' ' 33' ' ' VAL . 1.5 p-90 -93.11 1.89 56.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG22 ' CE3' ' A' ' 8' ' ' TRP . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -66.97 159.39 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.43 -19.89 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -114.38 -52.57 2.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.11 140.81 97.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.3 Cg_endo -69.79 129.22 17.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 35.39 49.07 0.91 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -122.22 -178.13 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -75.21 -38.56 60.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.7 82.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.15 -161.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.07 39.53 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.31 24.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -89.15 155.85 49.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.455 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 97' ' ' ILE . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -108.93 141.45 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -127.88 61.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.15 93.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.85 15.08 81.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -144.92 166.02 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CB ' HD11 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.42 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG13 ' C ' ' A' ' 75' ' ' THR . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.553 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 -90.03 147.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -64.21 -30.14 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.37 -113.29 5.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.55 33.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.2 m -119.43 41.85 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 t -148.08 139.13 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -118.17 160.29 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -118.19 141.41 48.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -39.87 -61.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 100.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -64.68 152.45 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 95.2 m -95.03 114.16 25.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . -126.43 90.16 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -100.19 143.4 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.419 ' N ' HD13 ' B' ' 13' ' ' LEU . 8.3 mp -95.44 173.79 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -45.26 -46.22 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -116.49 123.43 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -103.03 -55.69 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.54 -173.76 45.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -99.02 -61.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -44.49 160.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.4 -25.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 1.3 p-90 -93.21 -0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CG ' ' HE1' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.471 ' HE1' ' CG ' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' NZ ' ' CB ' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.508 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' NH2' ' O3P' ' B' ' 8' ' ' PTR . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -62.79 154.67 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.1 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -64.65 -51.32 63.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -92.52 106.65 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 119.12 6.11 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.29 -37.92 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -78.2 171.75 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.412 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -80.05 -17.57 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.28 161.36 35.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -60.74 -60.04 9.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.77 -170.33 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.78 89.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p -125.78 159.32 61.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 48' ' ' LEU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' CG2' HD13 ' B' ' 11' ' ' LEU . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t -122.01 116.37 24.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -90.91 46.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.49 73.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.61 -33.16 3.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.407 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -124.44 169.27 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' C ' HD21 ' B' ' 13' ' ' LEU . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.42 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.455 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.436 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 -70.08 163.63 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.7 m -58.46 -38.07 76.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.91 145.22 29.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -116.3 -53.5 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.6 m -81.74 166.38 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 81.4 p -88.9 110.69 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 4' ' ' GLN . 2.8 pm0 -146.23 144.18 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -36.93 153.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.91 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.42 HG22 ' N ' ' B' ' 7' ' ' THR . 8.5 mt -74.98 141.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.42 ' N ' HG22 ' B' ' 6' ' ' ILE . 52.0 m -100.08 124.18 45.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.513 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.49 127.7 54.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 65' ' ' ILE . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 -102.99 144.27 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.428 HD21 ' C ' ' A' ' 77' ' ' GLY . 4.5 mt -111.63 177.86 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -44.12 -42.57 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -90.8 110.19 21.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -88.91 -45.93 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.45 59.83 10.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -54.27 -47.68 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -41.78 150.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.23 177.22 17.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.7 p-90 -55.46 -31.19 61.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' SD ' ' A' ' 13' ' ' MET . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 89' ' ' VAL . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.58 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p -60.2 171.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.6 -37.64 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 -41.88 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.52 139.19 15.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.86 123.01 9.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.78 55.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 -123.27 175.68 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' B' ' 8' ' ' PTR . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -83.77 -21.92 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.73 -174.55 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.35 -158.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 87.5 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 141.5 38.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.543 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -136.12 157.75 75.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.432 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.504 ' CD2' ' HB ' ' B' ' 6' ' ' ILE . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -113.03 109.03 18.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.23 46.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.7 69.53 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.56 -33.46 3.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.57 171.53 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' B' ' 13' ' ' LEU . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 65' ' ' ILE . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.509 HD21 ' CG ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.63 165.46 18.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 p -58.24 -43.48 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.41 121.52 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 p -140.04 116.32 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m 59.72 53.55 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.861 0.363 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p 43.8 40.76 3.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -134.91 99.73 4.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -123.41 56.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 6' ' ' ILE . 26.7 mt-10 -152.15 140.13 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.562 ' CD1' ' N ' ' B' ' 6' ' ' ILE . 0.1 OUTLIER -34.11 136.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.8 m -124.21 -15.1 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.468 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.15 160.53 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -102.05 156.32 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' B' ' 15' ' ' LYS . 2.0 pt? -169.49 152.71 4.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' B' ' 13' ' ' LEU . 17.6 mt-30 33.19 34.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 13' ' ' LEU . 23.9 pttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -80.79 87.74 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -111.01 162.47 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 113.12 3.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' GLY . 60.3 p -60.88 -40.6 93.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 38.97 26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 76.51 166.66 23.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.435 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 -59.56 -26.73 65.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 138.86 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -87.23 -53.6 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -57.58 -47.61 81.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -100.15 107.1 45.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 112.16 3.01 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.8 7.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.2 170.19 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' CG1' ' HE2' ' B' ' 8' ' ' PTR . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -89.11 -16.67 30.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 58' ' ' SER . . . -140.0 -175.02 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.92 -69.71 1.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' GLY . 54.7 Cg_endo -69.66 104.77 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.406 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' PRO . . . 33.48 92.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.48 152.17 80.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 63' ' ' THR . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.55 ' CD2' ' CG2' ' B' ' 6' ' ' ILE . 8.5 m-70 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HZ1' ' CE2' ' B' ' 8' ' ' PTR . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.459 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t -114.8 116.75 29.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -111.67 97.02 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.89 -90.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.91 23.47 4.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? -126.33 179.32 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -92.49 -56.22 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.0 m -152.52 172.49 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.82 115.21 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.26 -45.74 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.7 t -74.8 143.87 43.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.517 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.98 0.419 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.6 m -88.21 46.88 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 50.23 51.69 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -106.88 56.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -135.83 130.74 34.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.55 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 1.2 mp -98.7 148.57 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -93.9 -21.35 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.453 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.83 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -109.9 89.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.404 ' H ' ' CD2' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -58.39 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -43.95 -31.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -85.21 144.81 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -118.42 109.46 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.38 43.25 2.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -170.18 160.18 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.77 89.35 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -148.92 19.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.78 11.57 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' CB ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 23' ' ' GLN . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 13' ' ' MET . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -89.51 168.35 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.1 mp -130.97 -37.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 m -81.75 -45.84 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -87.5 138.64 31.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.526 0.679 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.9 Cg_endo -69.81 139.63 40.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.88 56.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.48 -179.28 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 ' CG1' ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -78.35 -18.6 54.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.55 11.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -68.87 -59.54 5.91 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.446 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.8 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.34 95.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 p -134.65 157.46 77.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 97' ' ' ILE . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HE2' ' CZ ' ' B' ' 8' ' ' PTR . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.432 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.07 120.31 39.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -112.22 101.4 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.4 -87.71 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.31 31.46 3.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' C ' ' CD2' ' B' ' 13' ' ' LEU . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' HD22 ' B' ' 13' ' ' LEU . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.29 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -170.63 143.1 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.59 144.99 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.67 6.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.5 m -48.4 150.91 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -83.35 -58.9 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 27.8 p -61.82 -57.62 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -111.46 106.73 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -163.07 141.18 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' B' ' 6' ' ' ILE . 7.9 mp0 -58.98 95.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' B' ' 5' ' ' GLU . 5.4 mp -35.23 146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.1 m -99.46 116.63 32.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.468 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 63' ' ' THR . . . -108.91 91.11 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -89.55 154.32 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.466 ' CD2' ' C ' ' A' ' 77' ' ' GLY . 30.5 mt -123.08 -179.16 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -44.75 -28.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -119.58 -46.35 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -114.14 151.58 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.78 121.53 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.84 149.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -124.32 152.38 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 -20.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.547 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 -82.29 -15.36 53.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -62.43 153.07 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.71 -32.83 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 m -95.57 -55.27 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.28 122.22 82.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.09 39.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.47 52.79 13.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -143.91 172.07 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.07 -38.14 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.98 -74.0 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 -145.64 4.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 111.66 2.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.79 -27.31 6.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.47 154.55 79.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' CD2' HG23 ' B' ' 6' ' ' ILE . 15.0 m-70 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.517 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -118.05 123.06 44.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -119.78 98.33 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.62 -86.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.67 29.97 2.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -129.24 -178.6 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' C ' HD13 ' B' ' 13' ' ' LEU . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.534 HG11 ' CE2' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -103.47 -54.2 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 m -171.91 171.49 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.36 73.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -35.0 13.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -164.53 142.12 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -85.59 -69.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.434 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.9 p -68.76 116.64 9.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' B' ' 4' ' ' GLN . 32.5 tp10 -112.96 81.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 3' ' ' GLU . 10.2 mm100 36.54 43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -132.55 82.35 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.523 HG23 ' CD2' ' A' ' 64' ' ' HIS . 3.6 mm -38.01 157.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -92.53 -26.48 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.521 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.15 160.6 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -113.24 140.64 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER -175.09 157.62 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -38.67 -55.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -119.77 90.76 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -72.23 123.63 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 144.9 9.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -54.31 123.85 14.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -110.73 42.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 160.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 -59.38 -47.34 85.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.459 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 89' ' ' VAL . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH2' ' CG1' ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -70.61 -179.41 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.13 -49.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -85.84 -29.12 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.98 120.18 45.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.79 13.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 92.35 -45.75 2.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -51.22 -175.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TRP . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.476 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.51 178.16 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -73.15 -59.63 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -170.18 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.405 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.6 92.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 p -128.56 154.24 79.51 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 51' ' ' GLN . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 63' ' ' THR . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.446 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t -119.02 119.72 35.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -117.74 97.61 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.36 -91.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.9 22.93 3.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER -126.56 179.96 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' GLU . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' CD ' HG11 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.416 HD11 ' CD1' ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.514 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 -76.91 160.31 29.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 112' ' ' TYR . 53.0 m -35.68 -50.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.53 103.83 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 2.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.323 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.4 t -80.55 -51.9 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -44.51 125.81 4.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.553 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.8 0.333 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.7 m 47.26 41.36 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -100.59 112.67 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 41.32 40.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -126.82 139.18 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 147.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 51.1 m -114.97 135.51 54.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.443 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.79 30.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -100.77 125.3 47.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.31 -176.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -50.24 -50.18 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 pttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -71.3 101.64 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m 48.92 39.09 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 134.38 12.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 156.29 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -93.0 -47.72 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.89 -145.43 13.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.553 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 -94.19 2.67 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.553 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' CZ ' HG12 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m -82.51 154.3 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -90.42 -54.41 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -78.54 -58.95 2.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.49 114.9 27.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.8 16.56 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.68 -35.08 2.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.38 178.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 34' ' ' ARG . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -83.2 -22.31 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -130.38 166.86 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -63.62 -60.86 6.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.428 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.1 Cg_endo -69.7 178.83 4.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.95 93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' PRO . 1.8 p -129.54 158.41 73.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' CG2' ' HG2' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -119.37 128.33 53.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -131.65 116.81 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.84 -72.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.87 16.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.48 178.28 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' B' ' 13' ' ' LEU . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' GLU . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.542 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -120.34 39.33 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 t -123.98 88.18 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.76 -95.38 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.24 33.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 m -45.34 162.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 80.6 p -163.32 172.37 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.491 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -105.01 143.94 32.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.71 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -102.06 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -90.63 107.45 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.451 HD11 ' N ' ' B' ' 6' ' ' ILE . 0.2 OUTLIER -51.21 159.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.4 m -116.33 136.16 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.18 134.82 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -103.06 141.82 35.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.465 ' CD1' ' HA2' ' A' ' 78' ' ' GLY . 0.4 OUTLIER -112.86 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -50.56 -55.1 17.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -147.19 136.3 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -124.43 118.27 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.18 -49.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -56.66 112.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p 40.35 43.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 38.09 3.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-90 -96.3 -10.72 27.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CE1' ' HA ' ' A' ' 113' ' ' SER . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.462 ' CB ' HD13 ' A' ' 37' ' ' LEU . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' NH2' ' CG1' ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -68.69 -179.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 14' ' ' SER . 18.3 mt -119.85 -31.75 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -121.31 -39.06 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -67.66 112.62 10.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.64 10.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.378 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.96 42.84 84.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -136.51 -178.83 5.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -60.7 -49.14 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.93 -72.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.05 -59.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -45.13 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.406 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.75 75.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 p -141.01 154.94 68.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -124.74 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.48 143.21 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 41.95 6.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.41 75.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -123.06 -178.46 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 78' ' ' GLY . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' C ' HD13 ' B' ' 13' ' ' LEU . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' N ' HD22 ' B' ' 13' ' ' LEU . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.43 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -96.85 160.29 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HA ' ' CE1' ' A' ' 10' ' ' HIS . 15.6 t -78.46 -53.38 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.2 -167.18 37.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.29 2.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -65.61 86.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.2 m -131.82 176.42 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -47.48 158.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.8 102.77 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.37 128.95 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -164.15 112.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mp -59.65 140.04 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 92.8 m -80.36 122.74 27.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.516 ' CE2' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.17 -47.84 40.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 -124.84 92.22 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 78' ' ' GLY . 5.4 mp -104.02 150.51 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -56.19 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -52.22 151.27 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -115.83 -14.17 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 73.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -149.35 118.39 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -142.99 163.9 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' HB3' ' A' ' 112' ' ' TYR . . . -117.69 -163.98 13.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CE3' HG23 ' A' ' 33' ' ' VAL . 1.9 p-90 -56.26 -13.14 1.92 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 5.6 t60 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' HA3' ' CD1' ' B' ' 6' ' ' ILE . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' CG ' HD13 ' A' ' 21' ' ' LEU . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 17' ' ' GLN . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG23 ' CE3' ' A' ' 8' ' ' TRP . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -64.92 -179.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.19 -49.88 2.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.6 p -98.24 -39.64 8.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.77 124.72 91.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.78 143.69 51.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.28 58.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.91 177.65 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HE1' ' B' ' 8' ' ' PTR . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 45' ' ' LEU . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -79.23 -32.59 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.25 -52.86 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.74 -145.56 8.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.85 2.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.8 -8.4 21.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p -94.14 152.93 40.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.448 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' B' ' 8' ' ' PTR . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t -121.42 91.04 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' GLY . 39.3 mm-40 -61.25 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.71 -53.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.04 25.87 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -135.66 178.36 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' GLY . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.493 ' N ' HD12 ' B' ' 13' ' ' LEU . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.538 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 98' ' ' GLU . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.417 ' HB3' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -107.04 159.05 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -51.11 119.68 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.67 144.58 5.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.3 32.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.9 p -109.84 -13.08 14.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.6 p -85.63 133.48 34.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.553 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.825 0.345 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 65.5 m -103.77 138.04 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.77 127.78 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -112.53 176.69 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 6' ' ' ILE . 13.1 pt-20 39.79 45.31 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.445 ' CD1' ' HA3' ' A' ' 15' ' ' GLY . 17.9 mt -36.24 147.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.8 m -99.96 111.6 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.31 88.53 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.409 ' C ' HD22 ' B' ' 13' ' ' LEU . 3.7 t-20 -79.5 146.03 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 78' ' ' GLY . 1.1 pt? -168.16 148.87 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.2 pp0? -38.85 -45.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' N ' ' OE1' ' B' ' 14' ' ' GLN . 56.2 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -160.85 114.6 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.58 98.23 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 105.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -53.51 156.53 2.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -144.5 145.2 31.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.56 -131.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.8 p-90 -93.51 -5.78 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' NH2' HG13 ' A' ' 44' ' ' VAL . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -67.13 156.75 35.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.7 -37.68 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -96.54 -51.28 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.32 122.79 84.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.76 -42.52 2.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.5 169.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG1' ' HE1' ' B' ' 8' ' ' PTR . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -67.37 -43.43 81.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -124.52 -62.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.24 -59.7 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.493 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.4 Cg_endo -69.83 80.61 0.89 Allowed 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.21 42.97 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p -109.98 149.75 40.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t -121.33 103.59 9.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -98.22 97.41 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.34 -88.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.1 27.51 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.79 172.59 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 77' ' ' GLY . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' C ' ' HG ' ' B' ' 13' ' ' LEU . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -86.63 160.65 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -61.53 150.35 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.65 139.54 3.75 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.15 58.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 p -68.8 156.55 38.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -117.89 163.84 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -149.92 135.96 18.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -45.55 103.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -131.73 177.41 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.44 139.17 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.37 165.26 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -84.39 -29.17 26.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.209 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.455 ' HE1' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.86 114.71 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.46 123.56 48.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.455 ' HG ' ' C ' ' A' ' 77' ' ' GLY . 8.5 mp -90.72 149.39 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.453 ' CG ' ' HD3' ' B' ' 15' ' ' LYS . 0.6 OUTLIER -34.27 -41.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' CG ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -69.71 121.14 16.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -44.45 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 175.01 18.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -95.87 168.77 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -48.71 144.18 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -35.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -107.78 25.09 11.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HE3' ' A' ' 13' ' ' MET . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 165.21 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 mt -112.58 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 t -53.88 -40.65 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -104.98 102.71 37.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.1 6.1 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.28 -37.62 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.27 179.61 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.5 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -67.01 -29.37 69.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.64 -55.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 131.36 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.5 Cg_endo -69.72 80.32 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.26 52.76 50.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -120.27 152.27 54.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 63' ' ' THR . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.539 ' CD2' HG21 ' B' ' 6' ' ' ILE . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -93.48 50.98 1.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.3 -23.79 8.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 -127.52 176.14 7.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 102' ' ' GLY . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -94.91 45.52 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 112' ' ' TYR . 4.5 t 34.5 43.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.31 142.86 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -176.19 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.5 t -99.21 -55.19 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.3 m 51.69 41.14 28.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -141.02 150.22 42.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -74.14 172.37 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -101.62 88.65 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -157.49 117.58 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.539 HG21 ' CD2' ' A' ' 64' ' ' HIS . 3.5 mp -75.23 144.65 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.4 m -104.98 115.96 31.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.492 ' CE2' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.32 127.15 53.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -113.61 79.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 173.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.974 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -43.54 -27.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 pttt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -71.26 143.32 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -155.01 159.09 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.99 -76.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t 69.21 37.69 2.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -126.1 140.02 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -130.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-90 -102.83 -10.33 19.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' ALA . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t -35.82 147.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.1 -43.27 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -74.97 -66.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -78.36 112.46 26.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 129.55 17.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.68 -35.94 4.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.98 141.53 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HE1' ' B' ' 8' ' ' PTR . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 107' ' ' LEU . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -31.9 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.96 74.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.08 -160.09 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.28 25.13 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.49 -22.95 23.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p -94.31 154.77 40.33 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 48' ' ' LEU . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.484 ' CG2' ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -88.01 126.66 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -116.06 71.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.45 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.53 8.78 21.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -124.7 175.93 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' GLU . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -76.5 -70.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -125.64 -175.62 3.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -162.08 95.25 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 90.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.3 m -42.84 157.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.8 m -124.45 110.98 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.531 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.418 ' O ' ' C ' ' B' ' 3' ' ' GLU . 88.3 m -96.06 -49.8 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 4' ' ' GLN . 19.0 pt-20 36.88 50.47 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' B' ' 3' ' ' GLU . 34.0 mt-30 -36.48 -52.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -134.06 155.63 49.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.35 139.85 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -84.88 111.9 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.472 ' HE1' ' CG2' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.484 ' CB ' ' CG2' ' A' ' 63' ' ' THR . . . -109.17 135.98 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -110.33 140.74 44.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -85.36 179.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' B' ' 15' ' ' LYS . 4.9 pp0? -70.61 -48.08 56.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' B' ' 14' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -162.79 142.86 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -137.53 164.42 28.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 -176.65 36.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -147.67 135.28 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -54.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.04 55.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.456 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 -71.77 -8.96 57.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' GLN . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CG ' HD22 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -75.6 163.77 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.23 -53.64 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -79.24 -56.17 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -66.97 122.71 83.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.4 Cg_endo -69.72 153.72 68.78 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.21 45.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -129.85 168.5 16.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' CG1' ' HE2' ' B' ' 8' ' ' PTR . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 62' ' ' VAL . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -69.52 -38.03 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.07 -52.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.01 -140.95 6.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.28 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.19 -10.98 10.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -97.62 152.29 38.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 48' ' ' LEU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.94 118.03 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -145.05 145.11 31.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 43.28 59.55 3.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 45.19 43.16 9.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -144.1 178.49 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' C ' HD23 ' B' ' 13' ' ' LEU . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' CA ' ' HB3' ' B' ' 13' ' ' LEU . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.402 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.477 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -97.19 161.38 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.0 t -69.61 169.11 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -107.22 159.46 14.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.58 23.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -161.99 151.56 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -74.0 149.92 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.28 121.58 42.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -101.09 128.01 47.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -51.93 -49.33 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.89 173.96 11.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' B' ' 6' ' ' ILE . 1.4 mm -66.76 147.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 77.5 m -87.15 115.13 24.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.444 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.06 115.86 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' A' ' 97' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -100.52 127.67 46.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.442 ' HB3' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -114.31 -175.86 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.43 77.16 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 pttt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -115.8 121.31 42.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -171.2 120.94 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.85 76.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -100.5 150.13 22.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 p -115.13 172.64 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.14 71.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -26.52 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' ND1' ' HE2' ' A' ' 13' ' ' MET . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.412 ' HE2' ' ND1' ' A' ' 10' ' ' HIS . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' GLY . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.509 ' CE1' ' HA ' ' A' ' 110' ' ' PRO . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t -66.43 140.68 58.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.37 -22.98 19.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -93.22 -71.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.77 136.49 92.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.76 152.83 69.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.66 35.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' PRO . 1.5 m-20 -113.09 159.23 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.82 -35.24 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.18 83.82 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.0 -156.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.57 54.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.06 -22.71 36.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p -86.61 151.37 52.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' CD2' HG22 ' B' ' 6' ' ' ILE . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' HD23 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t -121.67 100.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 72' ' ' GLY . 5.0 mm-40 -107.3 150.16 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.89 -90.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 70' ' ' GLU . . . -144.9 33.64 1.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.65 -178.94 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' B' ' 13' ' ' LEU . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 74' ' ' TYR . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.514 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.58 ' OE2' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -84.36 171.07 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -94.74 133.53 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -164.5 143.71 8.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -174.12 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -124.35 157.66 34.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -66.61 86.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.486 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 33.9 m -73.89 119.03 17.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -169.26 129.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 51.35 44.38 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.08 146.64 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.509 ' HB ' ' CE2' ' B' ' 8' ' ' PTR . 1.5 mm -90.61 162.27 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -88.42 -27.35 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.509 ' CE2' ' HB ' ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.46 121.12 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.514 ' CD1' ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.2 114.62 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -112.9 -76.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' B' ' 15' ' ' LYS . 24.8 mt-30 -130.86 11.49 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -101.05 104.55 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -88.75 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.39 -87.78 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -73.88 160.88 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -165.39 136.14 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.01 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -90.31 13.24 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.561 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.9 m-70 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 89' ' ' VAL . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 34' ' ' ARG . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' N ' HG11 ' A' ' 33' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -71.19 148.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 -21.05 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -105.71 -28.02 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -101.79 106.87 49.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.46 5.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.57 31.93 23.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.35 156.42 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' HB ' ' NE ' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -56.06 -43.85 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.14 -73.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.42 -144.0 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 93.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.31 -27.06 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -77.63 153.67 81.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t -142.19 122.58 14.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -121.95 112.22 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.69 -75.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.88 12.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -110.87 -178.67 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' GLY . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.509 ' O ' ' CD2' ' B' ' 13' ' ' LEU . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HA3' ' A' ' 114' ' ' GLY . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 -128.92 92.07 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' TYR . 67.4 p 34.79 49.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -36.57 100.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.403 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -2.12 9.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 m 67.72 54.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.0 t -119.85 21.06 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.416 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.338 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 m -88.76 139.81 30.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -88.95 54.56 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -80.0 126.19 30.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.26 127.26 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.51 160.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.192 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.0 m -121.93 136.01 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.01 97.73 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -129.31 107.52 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.36 -175.84 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' B' ' 15' ' ' LYS . 3.7 pm0 -44.48 -40.8 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -47.72 147.93 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -78.48 -42.35 29.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.46 -53.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m 45.37 41.04 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -103.9 156.36 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -54.04 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -45.18 -40.76 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 89' ' ' VAL . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -55.66 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.0 mt -125.98 -35.64 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -117.29 -33.31 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -68.19 139.42 92.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.7 Cg_endo -69.73 126.64 13.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.29 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.3 57.22 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 -124.68 -178.83 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -70.52 -44.02 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.03 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.65 -161.15 0.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.561 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 142.93 48.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.59 -37.27 3.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.558 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p -77.41 153.92 81.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HD2' ' CB ' ' B' ' 8' ' ' PTR . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.54 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t -128.09 111.82 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -107.25 116.03 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.36 -78.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.69 11.73 1.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -109.37 -178.72 3.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' B' ' 13' ' ' LEU . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.527 HG13 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 -77.79 158.99 29.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -78.25 97.55 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -95.33 113.86 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.78 12.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -75.95 88.1 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.3 t -77.6 149.34 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -169.83 160.74 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -124.62 172.92 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -147.66 123.35 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -66.42 88.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 137.5 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -119.85 155.49 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 168.04 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' B' ' 15' ' ' LYS . 7.2 m120 -107.67 95.59 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -65.74 -71.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -80.87 -39.71 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' B' ' 12' ' ' ASN . 12.9 mmmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.63 88.28 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -96.9 39.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -139.06 0.67 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.6 m -130.21 110.87 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.1 t -35.6 -52.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.49 -124.21 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' CZ3' HG22 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -95.35 8.9 41.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' HD13 ' A' ' 37' ' ' LEU . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' B' ' 6' ' ' ILE . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD1' ' NH2' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG22 ' CZ3' ' A' ' 8' ' ' TRP . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' CD1' ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m -85.37 176.15 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 14' ' ' SER . 34.3 mt -120.08 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 m -52.05 -43.69 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.53 118.24 49.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.05 6.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 107.0 -46.74 1.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 -49.46 178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' CG1' ' HE2' ' B' ' 8' ' ' PTR . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -73.31 -37.32 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.84 87.35 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.88 -164.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.98 34.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.635 2.223 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 -30.15 8.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p -84.61 154.84 62.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.439 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t -114.7 115.97 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -87.6 48.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.32 68.78 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.13 -31.07 3.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -120.07 169.26 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CG ' HD21 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' ' CB ' ' B' ' 13' ' ' LEU . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.407 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -88.85 160.59 17.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.7 t -64.85 103.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' SER . . . -38.14 107.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.4 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m 73.56 48.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 p -102.18 90.96 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.889 0.375 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -123.74 -52.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.23 41.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -43.96 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -172.78 117.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 ' CD1' ' HA3' ' A' ' 15' ' ' GLY . 5.4 pt -83.57 166.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.9 m -140.39 117.79 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.434 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.91 163.45 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.421 ' C ' HD21 ' B' ' 13' ' ' LEU . 2.7 t30 -86.27 150.27 24.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.477 ' CB ' ' HA2' ' A' ' 78' ' ' GLY . 1.1 pt? -175.28 -177.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.02 -42.34 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.589 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.599 HD21 HD23 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 48' ' ' LEU . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 85' ' ' LEU . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' NH2' HG11 ' A' ' 44' ' ' VAL . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG11 ' NH2' ' A' ' 34' ' ' ARG . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 105' ' ' VAL . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG21 ' HA ' ' A' ' 19' ' ' GLU . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 67' ' ' VAL . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.714 HG11 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.544 HD13 HD13 ' A' ' 65' ' ' ILE . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 47' ' ' VAL . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.96 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 65' ' ' ILE . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CE1' ' HE1' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE1' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.655 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 62' ' ' VAL . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 89' ' ' VAL . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.881 HG11 HD13 ' A' ' 85' ' ' LEU . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' NH2' HG11 ' A' ' 44' ' ' VAL . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG11 ' NH2' ' A' ' 34' ' ' ARG . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 62' ' ' VAL . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 58' ' ' SER . 11.9 ptmm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . 20.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 62' ' ' VAL . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.9 HG21 HD11 ' B' ' 11' ' ' LEU . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.832 ' CD1' HD12 ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.832 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CG2' HD22 ' B' ' 11' ' ' LEU . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.692 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.507 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.697 0.285 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.692 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 65' ' ' ILE . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 48' ' ' LEU . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 45' ' ' LEU . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' NH2' HG11 ' A' ' 44' ' ' VAL . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG11 ' NH2' ' A' ' 34' ' ' ARG . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.582 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 27' ' ' GLU . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 HD11 ' B' ' 11' ' ' LEU . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.554 HH21 HG21 ' A' ' 81' ' ' THR . 39.3 mtp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' OE2' ' A' ' 90' ' ' GLU . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' OE2' HG22 ' A' ' 86' ' ' THR . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.571 HG21 HD13 ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.582 ' CG1' HG11 ' A' ' 47' ' ' VAL . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.552 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.972 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.691 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.709 HD11 HG21 ' A' ' 65' ' ' ILE . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 85' ' ' LEU . 1.3 p-90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' HB3' ' HE3' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.648 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 45' ' ' LEU . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 46' ' ' SER . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.691 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG21 ' HA ' ' A' ' 19' ' ' GLU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 97' ' ' ILE . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 76' ' ' VAL . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 67' ' ' VAL . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 65' ' ' ILE . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' HA ' HD23 ' B' ' 11' ' ' LEU . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.691 ' CG1' HG11 ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 99' ' ' GLU . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.431 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.7 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.586 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 32' ' ' LEU . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.901 ' CB ' HD23 ' A' ' 107' ' ' LEU . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 85' ' ' LEU . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.586 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' NH2' ' A' ' 34' ' ' ARG . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 27' ' ' GLU . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CB ' HD11 ' A' ' 48' ' ' LEU . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.567 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' O ' HG12 ' A' ' 76' ' ' VAL . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 85' ' ' LEU . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 66' ' ' LYS . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' HD1' HD12 ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.768 HD12 ' HD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 HG21 HD21 ' B' ' 11' ' ' LEU . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.457 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 HG11 ' A' ' 47' ' ' VAL . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.901 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 1.007 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 97' ' ' ILE . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 62' ' ' VAL . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 32' ' ' LEU . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CE2' HG11 ' A' ' 89' ' ' VAL . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 85' ' ' LEU . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' NH1' ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.803 HG11 ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 9' ' ' ALA . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.713 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.497 ' HB2' HG23 ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.497 HG23 ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' CD1' HD12 ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 31' ' ' PHE . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.803 ' CG1' HG11 ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.733 0.301 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.963 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.713 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.494 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' NH2' HG11 ' A' ' 44' ' ' VAL . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.578 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.641 ' O ' HD13 ' A' ' 60' ' ' LEU . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.643 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.55 ' N ' HG12 ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.798 HG21 HD11 ' B' ' 11' ' ' LEU . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.797 ' HB3' ' CD ' ' B' ' 10' ' ' GLU . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.797 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 65' ' ' ILE . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.83 ' CB ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 ' HG ' ' A' ' 85' ' ' LEU . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.635 ' HD3' HD11 ' A' ' 32' ' ' LEU . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 63' ' ' THR . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 62' ' ' VAL . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 97' ' ' ILE . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 81' ' ' THR . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.745 ' CD1' HD12 ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.745 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.624 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 65' ' ' ILE . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG21 ' A' ' 62' ' ' VAL . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.602 ' HG ' HD23 ' A' ' 32' ' ' LEU . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.904 ' NH2' HG11 ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.904 HG11 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 27' ' ' GLU . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 60' ' ' LEU . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.669 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.444 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 49' ' ' SER . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.548 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.667 HG21 HD11 ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' LEU . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.811 ' CD1' HD12 ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.811 HD12 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.475 ' CD ' HG12 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 95' ' ' THR . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 94' ' ' LYS . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.646 HG21 HD13 ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' B' ' 11' ' ' LEU . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG11 ' A' ' 47' ' ' VAL . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 21' ' ' LEU . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.634 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' ' 13' ' ' MET . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 85' ' ' LEU . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' NH2' HG11 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG11 ' NH2' ' A' ' 34' ' ' ARG . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.518 ' N ' HG12 ' A' ' 62' ' ' VAL . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.604 HG21 HD11 ' B' ' 11' ' ' LEU . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' HB3' HD13 ' A' ' 88' ' ' LEU . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 89' ' ' VAL . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.664 HG22 ' OE1' ' A' ' 90' ' ' GLU . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 85' ' ' LEU . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.664 ' OE1' HG22 ' A' ' 86' ' ' THR . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 91' ' ' HIS . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' ' 65' ' ' ILE . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.709 0.29 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 65' ' ' ILE . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 107' ' ' LEU . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 85' ' ' LEU . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.669 ' NH2' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG11 ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 19' ' ' GLU . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.811 HG23 ' HB2' ' B' ' 9' ' ' ALA . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 HD21 ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.665 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' LYS . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.644 ' CD1' HD12 ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 33' ' ' VAL . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 107' ' ' LEU . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 95' ' ' THR . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.704 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.58 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.468 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.811 ' HB2' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 33' ' ' VAL . 1.9 p-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 85' ' ' LEU . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' HD11 ' A' ' 32' ' ' LEU . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.614 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 97' ' ' ILE . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HD1' HD12 ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 33' ' ' VAL . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.623 HD12 ' HD1' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 65' ' ' ILE . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.439 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.75 0.31 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' HG21 ' A' ' 62' ' ' VAL . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 48' ' ' LEU . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 HG12 ' A' ' 105' ' ' VAL . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.534 ' N ' HG12 ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.609 HD13 HG21 ' A' ' 97' ' ' ILE . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 81' ' ' THR . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.691 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 94' ' ' LYS . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG21 HD13 ' A' ' 65' ' ' ILE . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.499 HG12 HG11 ' A' ' 47' ' ' VAL . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 76' ' ' VAL . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 62' ' ' VAL . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.061 HD11 HD23 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.061 HD23 HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 85' ' ' LEU . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG11 ' NH2' ' A' ' 34' ' ' ARG . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG11 HG12 ' A' ' 105' ' ' VAL . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 60' ' ' LEU . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.573 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 33' ' ' VAL . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD21 ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.762 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG12 HG11 ' A' ' 47' ' ' VAL . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 9.4 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.762 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.787 0.327 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.868 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.702 HD21 HG21 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 21' ' ' LEU . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 13' ' ' MET . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 46' ' ' SER . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 22' ' ' LEU . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 63' ' ' THR . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.674 HG23 ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.984 HG21 HD11 ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 76' ' ' VAL . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD22 ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.837 ' CD1' HD12 ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.837 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.585 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.61 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.475 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.771 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' GLN . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.881 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.771 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.727 ' NH2' HG11 ' A' ' 44' ' ' VAL . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.727 HG11 ' NH2' ' A' ' 34' ' ' ARG . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 19' ' ' GLU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.423 ' N ' HG12 ' A' ' 62' ' ' VAL . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.957 HG21 HD11 ' B' ' 11' ' ' LEU . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.402 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 68' ' ' MET . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' THR . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 HG11 ' A' ' 33' ' ' VAL . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.67 HG11 ' CE2' ' A' ' 31' ' ' PHE . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG3' HG23 ' A' ' 95' ' ' THR . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 94' ' ' LYS . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.66 ' CG2' HD13 ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.881 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' C ' HD23 ' B' ' 11' ' ' LEU . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.957 HD11 HG21 ' A' ' 65' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' GLY . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.903 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 85' ' ' LEU . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 105' ' ' VAL . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' HG12 ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.54 HG23 HD21 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' O ' HG12 ' A' ' 76' ' ' VAL . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.466 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.644 HD13 HG11 ' A' ' 33' ' ' VAL . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.725 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.748 ' CG2' HD11 ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' B' ' 11' ' ' LEU . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.903 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.9 m-70 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 21' ' ' LEU . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.696 ' NH2' HG11 ' A' ' 44' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG11 ' NH2' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 19' ' ' GLU . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.552 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.914 HG21 HD11 ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.783 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.783 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HD2' HG12 ' A' ' 89' ' ' VAL . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 65' ' ' ILE . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.699 ' CG1' HG11 ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' HG21 ' A' ' 30' ' ' THR . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.427 ' O ' HD23 ' B' ' 11' ' ' LEU . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.914 HD11 HG21 ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.519 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.816 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 85' ' ' LEU . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.579 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG11 ' NH2' ' A' ' 34' ' ' ARG . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 62' ' ' VAL . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 19' ' ' GLU . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 62' ' ' VAL . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.919 HG21 HD11 ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 79' ' ' LEU . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 33' ' ' VAL . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.72 ' CG2' HD22 ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.816 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 8.2 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.702 0.287 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.919 HD11 HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' NH1' ' A' ' 34' ' ' ARG . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 48' ' ' LEU . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.868 ' CB ' HD23 ' A' ' 107' ' ' LEU . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 45' ' ' LEU . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.729 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.681 HG21 HD11 ' B' ' 11' ' ' LEU . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CD2' HD22 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 94' ' ' LYS . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.481 ' HA ' HD23 ' B' ' 11' ' ' LEU . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.867 HG12 HG11 ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.868 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 65' ' ' ILE . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 69.7 43.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -99.65 113.63 26.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.0 -144.45 4.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -92.04 96.26 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -102.9 170.28 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -168.27 39.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -88.23 -29.16 20.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.696 ' CB ' HD11 ' A' ' 37' ' ' LEU . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.589 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.599 HD21 HD23 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 48' ' ' LEU . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 85' ' ' LEU . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' NH2' HG11 ' A' ' 44' ' ' VAL . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p -60.54 -176.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 14' ' ' SER . 37.9 mt -127.74 -41.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -126.21 6.68 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' ASP . 13.1 mm100 -102.41 144.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.3 Cg_endo -69.74 116.89 4.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 37.01 48.75 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 30.2 m-20 -118.97 171.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' B' ' 8' ' ' PTR . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 105' ' ' VAL . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.85 -37.13 81.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.98 -67.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.95 -143.03 4.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 88.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.392 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.23 -2.94 2.67 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.416 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p -108.22 154.77 41.12 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG21 ' HA ' ' A' ' 19' ' ' GLU . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.22 115.71 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.1 90.4 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.85 -77.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.39 14.13 4.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.27 -179.48 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 67' ' ' VAL . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.714 HG11 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.544 HD13 HD13 ' A' ' 65' ' ' ILE . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 47' ' ' VAL . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -84.59 156.1 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -50.84 -58.7 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.16 145.78 9.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.46 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 m -63.74 98.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.9 m -126.53 154.03 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 62.4 p 38.57 34.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.0 172.3 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -122.27 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.86 76.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.564 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -44.94 145.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -96.43 147.37 23.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.579 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.27 139.06 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.96 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 65' ' ' ILE . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -119.91 136.12 54.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -146.83 -175.23 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' LEU . 6.1 pt20 -38.38 -43.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 43.74 41.55 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.06 170.29 12.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.33 55.13 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -136.57 170.95 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t 62.79 41.0 9.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.83 -129.93 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 -61.0 -44.52 97.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CE1' ' HE1' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE1' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.558 ' OG ' HD13 ' A' ' 37' ' ' LEU . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.655 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 62' ' ' VAL . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 89' ' ' VAL . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.881 HG11 HD13 ' A' ' 85' ' ' LEU . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' NH2' HG11 ' A' ' 44' ' ' VAL . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -90.57 124.09 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' OG ' ' A' ' 14' ' ' SER . 5.5 mp -78.85 -49.78 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -48.73 -53.82 17.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -114.4 130.6 23.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.63 10.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 43' ' ' PHE . . . 100.15 -35.74 4.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.14 176.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 41' ' ' GLY . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG13 ' HE1' ' B' ' 8' ' ' PTR . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 62' ' ' VAL . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 58' ' ' SER . 11.9 ptmm? -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB3' ' OG ' ' A' ' 58' ' ' SER . . . -86.78 -72.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 144.96 -60.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.83 -51.17 0.39 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.656 2.238 . . . . 0.0 112.273 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.88 81.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 20.0 p -145.02 154.72 55.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 62' ' ' VAL . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.9 HG21 HD11 ' B' ' 11' ' ' LEU . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t -109.25 117.43 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -91.5 56.9 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.7 63.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.69 -22.11 5.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -125.67 174.51 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.828 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.832 ' CD1' HD12 ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.832 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CG2' HD22 ' B' ' 11' ' ' LEU . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.692 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.507 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 -102.01 -64.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.8 t -154.67 173.22 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.22 139.16 8.71 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.32 2.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.7 m -43.68 -41.14 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.6 m 44.72 34.38 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.34 156.71 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 167.41 28.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -121.24 -12.57 8.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -81.21 125.02 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.762 HD12 ' H ' ' B' ' 6' ' ' ILE . 2.6 mp -84.93 140.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.5 m -88.47 129.89 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.671 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 63' ' ' THR . . . -129.32 97.68 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.692 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 65' ' ' ILE . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -108.86 102.89 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -78.77 170.49 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.3 pp0? -53.65 -47.51 70.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' B' ' 13' ' ' LEU . 20.6 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -75.05 126.5 31.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -146.99 117.76 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 167.62 12.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -56.47 121.98 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -99.88 80.57 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.07 173.14 14.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -93.11 1.89 56.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 48' ' ' LEU . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 45' ' ' LEU . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' NH2' HG11 ' A' ' 44' ' ' VAL . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -66.97 159.39 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.43 -19.89 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -114.38 -52.57 2.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.11 140.81 97.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.3 Cg_endo -69.79 129.22 17.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 35.39 49.07 0.91 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -122.22 -178.13 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG11 ' NH2' ' A' ' 34' ' ' ARG . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.582 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 27' ' ' GLU . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -75.21 -38.56 60.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.7 82.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.15 -161.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.07 39.53 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.31 24.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -89.15 155.85 49.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 HD11 ' B' ' 11' ' ' LEU . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -108.93 141.45 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -127.88 61.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.15 93.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.85 15.08 81.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.554 HH21 HG21 ' A' ' 81' ' ' THR . 39.3 mtp180 -144.92 166.02 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.424 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' OE2' ' A' ' 90' ' ' GLU . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' OE2' HG22 ' A' ' 86' ' ' THR . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.571 HG21 HD13 ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.582 ' CG1' HG11 ' A' ' 47' ' ' VAL . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.552 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.972 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 -90.03 147.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -64.21 -30.14 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.37 -113.29 5.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.55 33.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.2 m -119.43 41.85 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 t -148.08 139.13 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -118.17 160.29 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -118.19 141.41 48.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -39.87 -61.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 100.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.657 HD12 ' H ' ' B' ' 6' ' ' ILE . 5.2 mp -64.68 152.45 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.417 ' N ' HG22 ' B' ' 6' ' ' ILE . 95.2 m -95.03 114.16 25.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . -126.43 90.16 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.691 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.709 HD11 HG21 ' A' ' 65' ' ' ILE . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -100.19 143.4 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 77' ' ' GLY . 8.3 mp -95.44 173.79 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -45.26 -46.22 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -116.49 123.43 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -103.03 -55.69 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.54 -173.76 45.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -99.02 -61.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -44.49 160.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.4 -25.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 85' ' ' LEU . 1.3 p-90 -93.21 -0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' HB3' ' HE3' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.648 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 45' ' ' LEU . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' NH2' ' O3P' ' B' ' 8' ' ' PTR . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -62.79 154.67 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.1 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -64.65 -51.32 63.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -92.52 106.65 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 119.12 6.11 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.29 -37.92 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -78.2 171.75 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG13 ' HE2' ' B' ' 8' ' ' PTR . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.691 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -80.05 -17.57 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 58' ' ' SER . . . -135.28 161.36 35.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -60.74 -60.04 9.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.77 -170.33 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.78 89.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 p -125.78 159.32 61.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG21 ' HA ' ' A' ' 19' ' ' GLU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 97' ' ' ILE . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 76' ' ' VAL . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t -122.01 116.37 24.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -90.91 46.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.49 73.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.61 -33.16 3.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.407 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -124.44 169.27 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 67' ' ' VAL . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' HD22 ' B' ' 13' ' ' LEU . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 65' ' ' ILE . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' HA ' HD23 ' B' ' 11' ' ' LEU . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.691 ' CG1' HG11 ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 -70.08 163.63 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.7 m -58.46 -38.07 76.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.91 145.22 29.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -116.3 -53.5 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.6 m -81.74 166.38 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 81.4 p -88.9 110.69 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 4' ' ' GLN . 2.8 pm0 -146.23 144.18 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -36.93 153.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.91 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.524 HD13 ' HA3' ' A' ' 15' ' ' GLY . 8.5 mt -74.98 141.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.0 m -100.08 124.18 45.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.544 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.49 127.7 54.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 99' ' ' GLU . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.431 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 -102.99 144.27 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 78' ' ' GLY . 4.5 mt -111.63 177.86 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -44.12 -42.57 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -90.8 110.19 21.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -88.91 -45.93 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.45 59.83 10.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -54.27 -47.68 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -41.78 150.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.23 177.22 17.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.7 p-90 -55.46 -31.19 61.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.586 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 32' ' ' LEU . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.901 ' CB ' HD23 ' A' ' 107' ' ' LEU . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 85' ' ' LEU . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p -60.2 171.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.6 -37.64 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 -41.88 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.52 139.19 15.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.86 123.01 9.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.78 55.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 -123.27 175.68 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HE2' ' B' ' 8' ' ' PTR . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 27' ' ' GLU . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -83.77 -21.92 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -132.73 -174.55 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.35 -158.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 87.5 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 141.5 38.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.543 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 2.6 p -136.12 157.75 75.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CB ' HD11 ' A' ' 48' ' ' LEU . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.567 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.769 ' NE2' HG22 ' B' ' 6' ' ' ILE . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' O ' HG12 ' A' ' 76' ' ' VAL . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 85' ' ' LEU . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -113.03 109.03 18.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.23 46.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.7 69.53 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.56 -33.46 3.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.57 171.53 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 66' ' ' LYS . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.613 ' CA ' HD13 ' B' ' 13' ' ' LEU . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' HD1' HD12 ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.768 HD12 ' HD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 HG21 HD21 ' B' ' 11' ' ' LEU . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.457 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 HG11 ' A' ' 47' ' ' VAL . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.901 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.63 165.46 18.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 p -58.24 -43.48 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.41 121.52 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 p -140.04 116.32 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m 59.72 53.55 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.861 0.363 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p 43.8 40.76 3.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -134.91 99.73 4.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -123.41 56.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 6' ' ' ILE . 26.7 mt-10 -152.15 140.13 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.769 HG22 ' NE2' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -34.11 136.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.407 ' O ' HG22 ' B' ' 7' ' ' THR . 12.8 m -124.21 -15.1 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.606 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.15 160.53 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 1.007 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 97' ' ' ILE . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -102.05 156.32 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.613 HD13 ' CA ' ' A' ' 78' ' ' GLY . 2.0 pt? -169.49 152.71 4.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' B' ' 13' ' ' LEU . 17.6 mt-30 33.19 34.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 13' ' ' LEU . 23.9 pttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -80.79 87.74 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -111.01 162.47 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 113.12 3.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' GLY . 60.3 p -60.88 -40.6 93.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 38.97 26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 76.51 166.66 23.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 -59.56 -26.73 65.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 37' ' ' LEU . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 62' ' ' VAL . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD22 ' HA3' ' A' ' 114' ' ' GLY . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 32' ' ' LEU . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CE2' HG11 ' A' ' 89' ' ' VAL . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 85' ' ' LEU . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' NH1' ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 138.86 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 14' ' ' SER . 46.1 mt -87.23 -53.6 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -57.58 -47.61 81.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -100.15 107.1 45.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 112.16 3.01 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.8 7.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.2 170.19 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' B' ' 8' ' ' PTR . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG11 ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -89.11 -16.67 30.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -140.0 -175.02 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.92 -69.71 1.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' GLY . 54.7 Cg_endo -69.66 104.77 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.406 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' PRO . . . 33.48 92.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.99 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.48 152.17 80.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 9' ' ' ALA . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.492 ' ND1' HG21 ' B' ' 6' ' ' ILE . 4.7 m80 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.713 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.497 ' HB2' HG23 ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t -114.8 116.75 29.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' OE1' HG21 ' A' ' 81' ' ' THR . 42.3 mt-10 -111.67 97.02 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.89 -90.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.91 23.47 4.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? -126.33 179.32 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.497 HG23 ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.598 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.628 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' CD1' HD12 ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 31' ' ' PHE . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.803 ' CG1' HG11 ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -92.49 -56.22 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.0 m -152.52 172.49 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.744 ' HA3' HD22 ' A' ' 21' ' ' LEU . . . -126.82 115.21 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.26 -45.74 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.7 t -74.8 143.87 43.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.517 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.98 0.419 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 2' ' ' THR . 14.6 m -88.21 46.88 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 50.23 51.69 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -106.88 56.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -135.83 130.74 34.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.809 HD13 ' O3P' ' B' ' 8' ' ' PTR . 1.2 mp -98.7 148.57 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -93.9 -21.35 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.809 ' O3P' HD13 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 63' ' ' THR . . . -104.83 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.963 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.713 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -109.9 89.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.761 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -58.39 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -43.95 -31.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -85.21 144.81 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -118.42 109.46 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.38 43.25 2.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -170.18 160.18 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.77 89.35 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -148.92 19.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.78 11.57 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.494 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' NH2' HG11 ' A' ' 44' ' ' VAL . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -89.51 168.35 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.1 mp -130.97 -37.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 m -81.75 -45.84 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -87.5 138.64 31.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.526 0.679 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.9 Cg_endo -69.81 139.63 40.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.88 56.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.48 -179.28 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG13 ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.641 ' O ' HD13 ' A' ' 60' ' ' LEU . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.643 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -78.35 -18.6 54.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' CB ' ' A' ' 58' ' ' SER . . . -128.04 171.55 11.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -68.87 -59.54 5.91 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.446 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.8 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.34 95.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 p -134.65 157.46 77.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.55 ' N ' HG12 ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.798 HG21 HD11 ' B' ' 11' ' ' LEU . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' B' ' 8' ' ' PTR . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.07 120.31 39.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -112.22 101.4 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.4 -87.71 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.31 31.46 3.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' C ' HD21 ' B' ' 13' ' ' LEU . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.797 ' HB3' ' CD ' ' B' ' 10' ' ' GLU . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.29 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -170.63 143.1 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.59 144.99 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.67 6.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.5 m -48.4 150.91 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -83.35 -58.9 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 27.8 p -61.82 -57.62 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -111.46 106.73 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -163.07 141.18 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' B' ' 6' ' ' ILE . 7.9 mp0 -58.98 95.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.752 HD12 ' H ' ' B' ' 6' ' ' ILE . 5.4 mp -35.23 146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.1 m -99.46 116.63 32.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.76 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.91 91.11 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.797 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 65' ' ' ILE . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -89.55 154.32 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.514 HD21 ' C ' ' A' ' 77' ' ' GLY . 30.5 mt -123.08 -179.16 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -44.75 -28.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -119.58 -46.35 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -114.14 151.58 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.78 121.53 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.84 149.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -124.32 152.38 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 -20.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.547 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 -82.29 -15.36 53.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.83 ' CB ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 ' HG ' ' A' ' 85' ' ' LEU . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.635 ' HD3' HD11 ' A' ' 32' ' ' LEU . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -62.43 153.07 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.71 -32.83 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 m -95.57 -55.27 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.28 122.22 82.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.09 39.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.47 52.79 13.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -143.91 172.07 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.07 -38.14 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.98 -74.0 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 -145.64 4.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 111.66 2.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.79 -27.31 6.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.47 154.55 79.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 63' ' ' THR . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 62' ' ' VAL . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.582 ' ND1' HG21 ' B' ' 6' ' ' ILE . 8.6 m80 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 97' ' ' ILE . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -118.05 123.06 44.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -119.78 98.33 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.62 -86.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.67 29.97 2.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -129.24 -178.6 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.469 ' HA3' HD21 ' B' ' 13' ' ' LEU . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 81' ' ' THR . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.745 ' CD1' HD12 ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.745 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.624 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 65' ' ' ILE . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -103.47 -54.2 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 m -171.91 171.49 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.36 73.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -35.0 13.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -164.53 142.12 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -85.59 -69.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.434 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.9 p -68.76 116.64 9.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' B' ' 4' ' ' GLN . 32.5 tp10 -112.96 81.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 3' ' ' GLU . 10.2 mm100 36.54 43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -132.55 82.35 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.582 HG21 ' ND1' ' A' ' 64' ' ' HIS . 3.6 mm -38.01 157.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -92.53 -26.48 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.533 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.15 160.6 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -113.24 140.64 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.469 HD21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER -175.09 157.62 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -38.67 -55.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -119.77 90.76 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -72.23 123.63 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 144.9 9.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -54.31 123.85 14.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -110.73 42.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 160.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 -59.38 -47.34 85.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG21 ' A' ' 62' ' ' VAL . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.602 ' HG ' HD23 ' A' ' 32' ' ' LEU . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.904 ' NH2' HG11 ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.601 ' C ' HD22 ' A' ' 37' ' ' LEU . 2.9 m -70.61 -179.41 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 36' ' ' SER . 4.6 mm? -129.13 -49.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -85.84 -29.12 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.98 120.18 45.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.79 13.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 92.35 -45.75 2.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -51.22 -175.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.904 HG11 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 27' ' ' GLU . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 60' ' ' LEU . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.669 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.51 178.16 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.485 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -73.15 -59.63 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -170.18 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.405 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.6 92.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 48.8 p -128.56 154.24 79.51 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.444 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 49' ' ' SER . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.548 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.667 HG21 HD11 ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t -119.02 119.72 35.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -117.74 97.61 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.36 -91.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.9 22.93 3.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER -126.56 179.96 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' O ' HD11 ' B' ' 13' ' ' LEU . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' LEU . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.811 ' CD1' HD12 ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.811 HD12 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.475 ' CD ' HG12 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 95' ' ' THR . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 94' ' ' LYS . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.646 HG21 HD13 ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' B' ' 11' ' ' LEU . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG11 ' A' ' 47' ' ' VAL . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 -76.91 160.31 29.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 112' ' ' TYR . 53.0 m -35.68 -50.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 94.53 103.83 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.2 Cg_endo -69.86 2.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.323 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.4 t -80.55 -51.9 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -44.51 125.81 4.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.553 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.8 0.333 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.549 HG22 ' O ' ' B' ' 2' ' ' THR . 18.7 m 47.26 41.36 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -100.59 112.67 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 41.32 40.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -126.82 139.18 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.453 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -63.01 147.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 51.1 m -114.97 135.51 54.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.616 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.79 30.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -100.77 125.3 47.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 77' ' ' GLY . 10.3 mp -72.31 -176.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -50.24 -50.18 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 pttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -71.3 101.64 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m 48.92 39.09 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 134.38 12.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 156.29 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -93.0 -47.72 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.89 -145.43 13.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 -94.19 2.67 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 21' ' ' LEU . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.698 ' CB ' HD11 ' A' ' 37' ' ' LEU . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.634 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 113' ' ' SER . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 85' ' ' LEU . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' NH2' HG11 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m -82.51 154.3 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 14' ' ' SER . 22.3 mt -90.42 -54.41 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -78.54 -58.95 2.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.49 114.9 27.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.8 16.56 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.68 -35.08 2.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.38 178.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 ' HE1' ' B' ' 8' ' ' PTR . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -83.2 -22.31 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -130.38 166.86 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -63.62 -60.86 6.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.428 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.1 Cg_endo -69.7 178.83 4.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.95 93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 1.8 p -129.54 158.41 73.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.518 ' N ' HG12 ' A' ' 62' ' ' VAL . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.604 HG21 HD11 ' B' ' 11' ' ' LEU . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -119.37 128.33 53.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -131.65 116.81 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.84 -72.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.87 16.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.48 178.28 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' HB3' HD13 ' A' ' 88' ' ' LEU . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.822 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 89' ' ' VAL . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.664 HG22 ' OE1' ' A' ' 90' ' ' GLU . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 85' ' ' LEU . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' OE1' HG22 ' A' ' 86' ' ' THR . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 91' ' ' HIS . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' ' 65' ' ' ILE . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.537 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -120.34 39.33 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.632 ' O ' HD13 ' A' ' 21' ' ' LEU . 45.0 t -123.98 88.18 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.76 -95.38 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.24 33.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 m -45.34 162.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 80.6 p -163.32 172.37 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.491 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -105.01 143.94 32.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.71 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -102.06 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -90.63 107.45 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.578 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -51.21 159.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.4 m -116.33 136.16 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.568 ' HE1' HG22 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.18 134.82 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 65' ' ' ILE . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -103.06 141.82 35.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.822 HD13 ' HA2' ' A' ' 78' ' ' GLY . 0.4 OUTLIER -112.86 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -50.56 -55.1 17.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -147.19 136.3 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -124.43 118.27 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.18 -49.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -56.66 112.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p 40.35 43.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 38.09 3.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 -96.3 -10.72 27.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 113' ' ' SER . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.918 ' CB ' HD11 ' A' ' 37' ' ' LEU . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 107' ' ' LEU . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 85' ' ' LEU . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.669 ' NH2' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -68.69 -179.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 14' ' ' SER . 18.3 mt -119.85 -31.75 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -121.31 -39.06 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 36.7 mm-40 -67.66 112.62 10.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.2 Cg_endo -69.82 123.64 10.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.96 42.84 84.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -136.51 -178.83 5.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG11 ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -60.7 -49.14 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.492 ' HB3' ' OG ' ' A' ' 58' ' ' SER . . . -91.93 -72.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.05 -59.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -45.13 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.406 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.75 75.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 2.3 p -141.01 154.94 68.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 19' ' ' GLU . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.811 HG23 ' HB2' ' B' ' 9' ' ' ALA . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 HD21 ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.665 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -124.74 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.594 ' OE2' HG21 ' A' ' 81' ' ' THR . 3.0 pp20? -149.48 143.21 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 41.95 6.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.41 75.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -123.06 -178.46 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' LYS . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' O ' HD13 ' B' ' 13' ' ' LEU . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.736 ' CA ' HD22 ' B' ' 13' ' ' LEU . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.594 HG21 ' OE2' ' A' ' 70' ' ' GLU . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.644 ' CD1' HD12 ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 33' ' ' VAL . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 107' ' ' LEU . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 95' ' ' THR . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.704 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.58 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.468 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -96.85 160.29 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' A' ' 10' ' ' HIS . 15.6 t -78.46 -53.38 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.2 -167.18 37.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.29 2.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -65.61 86.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.2 m -131.82 176.42 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -47.48 158.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.8 102.77 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.37 128.95 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -164.15 112.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.756 HD12 ' H ' ' B' ' 6' ' ' ILE . 4.4 mp -59.65 140.04 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 92.8 m -80.36 122.74 27.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.586 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.811 ' HB2' HG23 ' A' ' 63' ' ' THR . . . -73.17 -47.84 40.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 -124.84 92.22 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.736 HD22 ' CA ' ' A' ' 78' ' ' GLY . 5.4 mp -104.02 150.51 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -56.19 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -52.22 151.27 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -115.83 -14.17 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 73.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -149.35 118.39 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -142.99 163.9 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 112' ' ' TYR . . . -117.69 -163.98 13.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 33' ' ' VAL . 1.9 p-90 -56.26 -13.14 1.92 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.636 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 85' ' ' LEU . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' HD11 ' A' ' 32' ' ' LEU . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' HD22 ' A' ' 37' ' ' LEU . 4.4 m -64.92 -179.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD22 ' C ' ' A' ' 36' ' ' SER . 4.5 mm? -121.19 -49.88 2.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.6 p -98.24 -39.64 8.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.77 124.72 91.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.78 143.69 51.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.28 58.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.91 177.65 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.659 HG13 ' HE1' ' B' ' 8' ' ' PTR . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -79.23 -32.59 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.25 -52.86 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 173.74 -145.56 8.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.75 108.85 2.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.8 -8.4 21.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p -94.14 152.93 40.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.614 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 97' ' ' ILE . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' B' ' 8' ' ' PTR . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t -121.42 91.04 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' GLY . 39.3 mm-40 -61.25 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.71 -53.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.04 25.87 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -135.66 178.36 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.609 ' O ' HD22 ' B' ' 13' ' ' LEU . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HD1' HD12 ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 33' ' ' VAL . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.623 HD12 ' HD1' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 65' ' ' ILE . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' HB3' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -107.04 159.05 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -51.11 119.68 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.67 144.58 5.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.3 32.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.9 p -109.84 -13.08 14.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.6 p -85.63 133.48 34.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.553 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.825 0.345 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 65.5 m -103.77 138.04 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.77 127.78 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -112.53 176.69 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 6' ' ' ILE . 13.1 pt-20 39.79 45.31 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD13 ' HA3' ' A' ' 15' ' ' GLY . 17.9 mt -36.24 147.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.8 m -99.96 111.6 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.659 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 63' ' ' THR . . . -102.31 88.53 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -79.5 146.03 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.627 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -168.16 148.87 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.2 pp0? -38.85 -45.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' N ' ' OE1' ' B' ' 14' ' ' GLN . 56.2 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -160.85 114.6 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.58 98.23 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 105.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -53.51 156.53 2.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -144.5 145.2 31.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.56 -131.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -93.51 -5.78 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' HG21 ' A' ' 62' ' ' VAL . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 48' ' ' LEU . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -67.13 156.75 35.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.7 -37.68 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -96.54 -51.28 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.32 122.79 84.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.76 -42.52 2.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.5 169.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.694 HG13 ' HE1' ' B' ' 8' ' ' PTR . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 HG12 ' A' ' 105' ' ' VAL . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -67.37 -43.43 81.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -124.52 -62.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.24 -59.7 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.493 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.4 Cg_endo -69.83 80.61 0.89 Allowed 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.21 42.97 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p -109.98 149.75 40.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.534 ' N ' HG12 ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.524 ' CD2' HG21 ' B' ' 6' ' ' ILE . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.609 HD13 HG21 ' A' ' 97' ' ' ILE . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t -121.33 103.59 9.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -98.22 97.41 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.34 -88.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.1 27.51 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.79 172.59 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 81' ' ' THR . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' C ' ' HG ' ' B' ' 13' ' ' LEU . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 13' ' ' LEU . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.691 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 94' ' ' LYS . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG21 HD13 ' A' ' 65' ' ' ILE . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.499 HG12 HG11 ' A' ' 47' ' ' VAL . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -86.63 160.65 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -61.53 150.35 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.65 139.54 3.75 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.15 58.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 p -68.8 156.55 38.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -117.89 163.84 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -149.92 135.96 18.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -45.55 103.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -131.73 177.41 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.44 139.17 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 64' ' ' HIS . 3.0 mm -97.37 165.26 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.439 ' H ' HG22 ' B' ' 6' ' ' ILE . 2.9 m -84.39 -29.17 26.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.209 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.694 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.86 114.71 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 76' ' ' VAL . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.46 123.56 48.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.455 ' HG ' ' C ' ' A' ' 77' ' ' GLY . 8.5 mp -90.72 149.39 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.463 ' CG ' ' HD3' ' B' ' 15' ' ' LYS . 0.6 OUTLIER -34.27 -41.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -69.71 121.14 16.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -44.45 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 175.01 18.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -95.87 168.77 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -48.71 144.18 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -35.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -107.78 25.09 11.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 37' ' ' LEU . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 62' ' ' VAL . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.061 HD11 HD23 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.061 HD23 HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 85' ' ' LEU . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 165.21 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD11 ' CB ' ' A' ' 14' ' ' SER . 41.3 mt -112.58 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 t -53.88 -40.65 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -104.98 102.71 37.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.1 6.1 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.28 -37.62 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.27 179.61 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 8' ' ' PTR . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG11 HG12 ' A' ' 105' ' ' VAL . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 60' ' ' LEU . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.573 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -67.01 -29.37 69.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' C ' ' HD2' ' A' ' 56' ' ' PRO . . . -121.64 -55.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 131.36 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.5 Cg_endo -69.72 80.32 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.26 52.76 50.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -120.27 152.27 54.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' B' ' 6' ' ' ILE . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.517 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -93.48 50.98 1.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.3 -23.79 8.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 -127.52 176.14 7.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.673 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.781 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 33' ' ' VAL . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD21 ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.762 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG12 HG11 ' A' ' 47' ' ' VAL . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 9.4 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -94.91 45.52 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 112' ' ' TYR . 4.5 t 34.5 43.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.31 142.86 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -176.19 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.5 t -99.21 -55.19 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.3 m 51.69 41.14 28.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -141.02 150.22 42.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -74.14 172.37 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -101.62 88.65 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -157.49 117.58 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.714 HD12 ' H ' ' B' ' 6' ' ' ILE . 3.5 mp -75.23 144.65 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.4 m -104.98 115.96 31.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.655 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.762 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -108.32 127.15 53.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.868 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.702 HD21 HG21 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -113.61 79.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.791 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -48.04 173.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.974 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -43.54 -27.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.401 ' HG2' HD12 ' B' ' 13' ' ' LEU . 29.5 pttt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -71.26 143.32 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -155.01 159.09 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.99 -76.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t 69.21 37.69 2.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -126.1 140.02 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -130.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 -102.83 -10.33 19.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 21' ' ' LEU . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 13' ' ' MET . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 46' ' ' SER . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t -35.82 147.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.1 -43.27 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -74.97 -66.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 69.2 mm-40 -78.36 112.46 26.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.4 Cg_endo -69.88 129.55 17.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.68 -35.94 4.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.98 141.53 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HE1' ' B' ' 8' ' ' PTR . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 22' ' ' LEU . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -31.9 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.96 74.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.08 -160.09 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.28 25.13 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.49 -22.95 23.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p -94.31 154.77 40.33 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 63' ' ' THR . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.674 HG23 ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.984 HG21 HD11 ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 76' ' ' VAL . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -88.01 126.66 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -116.06 71.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.45 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.53 8.78 21.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -124.7 175.93 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD22 ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.837 ' CD1' HD12 ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.837 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.585 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.61 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.475 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -76.5 -70.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -125.64 -175.62 3.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -162.08 95.25 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 90.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.3 m -42.84 157.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.8 m -124.45 110.98 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.531 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.43 ' C ' ' HG2' ' B' ' 3' ' ' GLU . 88.3 m -96.06 -49.8 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' C ' ' B' ' 2' ' ' THR . 19.0 pt-20 36.88 50.47 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' B' ' 3' ' ' GLU . 34.0 mt-30 -36.48 -52.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -134.06 155.63 49.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.624 HD12 ' H ' ' B' ' 6' ' ' ILE . 3.8 mp -82.35 139.85 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -84.88 111.9 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.679 ' HE1' HG22 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 63' ' ' THR . . . -109.17 135.98 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -110.33 140.74 44.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 77' ' ' GLY . 10.0 mp -85.36 179.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' B' ' 15' ' ' LYS . 4.9 pp0? -70.61 -48.08 56.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' B' ' 14' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -162.79 142.86 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -137.53 164.42 28.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 -176.65 36.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -147.67 135.28 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -54.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.04 55.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.456 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.771 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 -71.77 -8.96 57.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.646 ' HA ' HD11 ' A' ' 37' ' ' LEU . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.881 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.771 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.727 ' NH2' HG11 ' A' ' 44' ' ' VAL . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -75.6 163.77 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' A' ' 14' ' ' SER . 5.5 mp -108.23 -53.64 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -79.24 -56.17 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -66.97 122.71 83.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.4 Cg_endo -69.72 153.72 68.78 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.21 45.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -129.85 168.5 16.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.727 HG11 ' NH2' ' A' ' 34' ' ' ARG . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -69.52 -38.03 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.07 -52.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.01 -140.95 6.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.28 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.19 -10.98 10.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -97.62 152.29 38.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 19' ' ' GLU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.423 ' N ' HG12 ' A' ' 62' ' ' VAL . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.957 HG21 HD11 ' B' ' 11' ' ' LEU . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.402 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.94 118.03 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -145.05 145.11 31.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 43.28 59.55 3.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 45.19 43.16 9.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -144.1 178.49 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 68' ' ' MET . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.799 ' O ' HD13 ' B' ' 13' ' ' LEU . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' B' ' 13' ' ' LEU . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' THR . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 HG11 ' A' ' 33' ' ' VAL . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.67 HG11 ' CE2' ' A' ' 31' ' ' PHE . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG3' HG23 ' A' ' 95' ' ' THR . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 94' ' ' LYS . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.66 ' CG2' HD13 ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.881 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -97.19 161.38 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.0 t -69.61 169.11 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -107.22 159.46 14.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.58 23.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -161.99 151.56 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -74.0 149.92 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 2' ' ' THR . 8.9 t -116.28 121.58 42.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -101.09 128.01 47.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -51.93 -49.33 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.89 173.96 11.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.636 ' N ' HD13 ' B' ' 6' ' ' ILE . 1.4 mm -66.76 147.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 77.5 m -87.15 115.13 24.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.686 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.06 115.86 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' C ' HD23 ' B' ' 11' ' ' LEU . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.957 HD11 HG21 ' A' ' 65' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -100.52 127.67 46.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.799 HD13 ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -114.31 -175.86 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.43 77.16 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 pttt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -115.8 121.31 42.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -171.2 120.94 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.85 76.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -100.5 150.13 22.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 p -115.13 172.64 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.14 71.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -93.36 -26.52 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.59 ' CB ' HD11 ' A' ' 37' ' ' LEU . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.903 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 85' ' ' LEU . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t -66.43 140.68 58.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' SER . 12.2 mt -92.37 -22.98 19.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -93.22 -71.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.77 136.49 92.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.76 152.83 69.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.66 35.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' PRO . 1.5 m-20 -113.09 159.23 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG13 ' HE1' ' B' ' 8' ' ' PTR . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 105' ' ' VAL . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.82 -35.24 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.18 83.82 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.0 -156.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.57 54.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.06 -22.71 36.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p -86.61 151.37 52.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' HG12 ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' B' ' 6' ' ' ILE . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.54 HG23 HD21 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' O ' HG12 ' A' ' 76' ' ' VAL . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.466 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t -121.67 100.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 72' ' ' GLY . 5.0 mm-40 -107.3 150.16 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.89 -90.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 70' ' ' GLU . . . -144.9 33.64 1.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.65 -178.94 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.956 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.644 HD13 HG11 ' A' ' 33' ' ' VAL . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.725 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.748 ' CG2' HD11 ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' B' ' 11' ' ' LEU . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.903 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -84.36 171.07 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -94.74 133.53 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -164.5 143.71 8.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -174.12 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -124.35 157.66 34.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -66.61 86.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.486 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 33.9 m -73.89 119.03 17.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -169.26 129.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 51.35 44.38 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.08 146.64 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.593 ' N ' HD13 ' B' ' 6' ' ' ILE . 1.5 mm -90.61 162.27 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -88.42 -27.35 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.555 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.46 121.12 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -106.2 114.62 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.956 HD22 ' C ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -112.9 -76.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' B' ' 15' ' ' LYS . 24.8 mt-30 -130.86 11.49 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -101.05 104.55 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -88.75 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.39 -87.78 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -73.88 160.88 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -165.39 136.14 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.01 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -90.31 13.24 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.595 ' ND1' HD13 ' A' ' 32' ' ' LEU . 66.4 m80 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.571 ' HE2' HD12 ' A' ' 21' ' ' LEU . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HA ' HD21 ' A' ' 37' ' ' LEU . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 114' ' ' GLY . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 ' ND1' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.696 ' NH2' HG11 ' A' ' 44' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -71.19 148.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -111.28 -21.05 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -105.71 -28.02 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -101.79 106.87 49.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.46 5.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.57 31.93 23.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.35 156.42 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG11 ' NH2' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -56.06 -43.85 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.14 -73.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -157.42 -144.0 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.425 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 54.5 Cg_endo -69.72 93.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.31 -27.06 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -77.63 153.67 81.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 19' ' ' GLU . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.552 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.914 HG21 HD11 ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t -142.19 122.58 14.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -121.95 112.22 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.69 -75.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.88 12.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -110.87 -178.67 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.87 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.783 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.783 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HD2' HG12 ' A' ' 89' ' ' VAL . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 65' ' ' ILE . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.699 ' CG1' HG11 ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 114' ' ' GLY . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 -128.92 92.07 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' TYR . 67.4 p 34.79 49.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.795 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -36.57 100.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.403 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.7 Cg_endo -69.8 -2.12 9.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 m 67.72 54.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.0 t -119.85 21.06 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.416 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.338 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 m -88.76 139.81 30.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -88.95 54.56 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -80.0 126.19 30.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.26 127.26 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.51 160.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.192 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.0 m -121.93 136.01 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.691 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.01 97.73 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.427 ' O ' HD23 ' B' ' 11' ' ' LEU . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.914 HD11 HG21 ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -129.31 107.52 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.87 HD21 ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.36 -175.84 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' B' ' 13' ' ' LEU . 3.7 pm0 -44.48 -40.8 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -47.72 147.93 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -78.48 -42.35 29.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.46 -53.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m 45.37 41.04 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -103.9 156.36 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -54.04 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -45.18 -40.76 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.519 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.816 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 85' ' ' LEU . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.579 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -55.66 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.0 mt -125.98 -35.64 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -117.29 -33.31 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -68.19 139.42 92.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.7 Cg_endo -69.73 126.64 13.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.29 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.3 57.22 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 -124.68 -178.83 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG11 ' NH2' ' A' ' 34' ' ' ARG . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 62' ' ' VAL . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -70.52 -44.02 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.03 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.65 -161.15 0.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.561 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 142.93 48.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.59 -37.27 3.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.558 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p -77.41 153.92 81.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 19' ' ' GLU . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 62' ' ' VAL . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.919 HG21 HD11 ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HD2' ' CB ' ' B' ' 8' ' ' PTR . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t -128.09 111.82 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -107.25 116.03 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.36 -78.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.69 11.73 1.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -109.37 -178.72 3.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 79' ' ' LEU . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 33' ' ' VAL . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.72 ' CG2' HD22 ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HA ' ' ND2' ' B' ' 12' ' ' ASN . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.816 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 8.2 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 -77.79 158.99 29.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -78.25 97.55 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -95.33 113.86 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.78 12.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -75.95 88.1 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.3 t -77.6 149.34 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -169.83 160.74 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -124.62 172.92 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -147.66 123.35 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -66.42 88.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.625 ' O ' HD12 ' B' ' 6' ' ' ILE . 2.8 pp -64.53 137.5 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 8' ' ' PTR . 96.8 m -119.85 155.49 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.499 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 168.04 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.919 HD11 HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.539 ' ND2' ' HA ' ' A' ' 100' ' ' ALA . 43.6 m-20 -107.67 95.59 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.645 HD22 ' H ' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -65.74 -71.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' B' ' 14' ' ' GLN . 7.5 mp0 -80.87 -39.71 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.63 88.28 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -96.9 39.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -139.06 0.67 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.6 m -130.21 110.87 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.1 t -35.6 -52.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.49 -124.21 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.35 8.9 41.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' NH1' ' A' ' 34' ' ' ARG . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.836 ' HB3' HD11 ' A' ' 37' ' ' LEU . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.986 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 48' ' ' LEU . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.868 ' CB ' HD23 ' A' ' 107' ' ' LEU . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 45' ' ' LEU . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.729 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m -85.37 176.15 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 14' ' ' SER . 34.3 mt -120.08 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 m -52.05 -43.69 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.53 118.24 49.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.05 6.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 107.0 -46.74 1.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 -49.46 178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' HE2' ' B' ' 8' ' ' PTR . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -73.31 -37.32 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.84 87.35 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.88 -164.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.98 34.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.635 2.223 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 -30.15 8.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p -84.61 154.84 62.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.681 HG21 HD11 ' B' ' 11' ' ' LEU . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t -114.7 115.97 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -87.6 48.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.32 68.78 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.13 -31.07 3.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -120.07 169.26 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CD2' HD22 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' C ' HD13 ' B' ' 13' ' ' LEU . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.572 ' N ' HD13 ' B' ' 13' ' ' LEU . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 94' ' ' LYS . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.481 ' HA ' HD23 ' B' ' 11' ' ' LEU . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.867 HG12 HG11 ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.868 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -88.85 160.59 17.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.7 t -64.85 103.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . -38.14 107.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.4 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m 73.56 48.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 p -102.18 90.96 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.889 0.375 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -123.74 -52.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.23 41.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -43.96 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -172.78 117.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.986 HD13 ' HA3' ' A' ' 15' ' ' GLY . 5.4 pt -83.57 166.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.9 m -140.39 117.79 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.631 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.91 163.45 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 65' ' ' ILE . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.448 ' C ' HD23 ' B' ' 13' ' ' LEU . 2.7 t30 -86.27 150.27 24.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.675 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -175.28 -177.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.02 -42.34 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.589 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.599 HD21 HD23 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 48' ' ' LEU . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 85' ' ' LEU . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' NH2' HG11 ' A' ' 44' ' ' VAL . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG11 ' NH2' ' A' ' 34' ' ' ARG . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 105' ' ' VAL . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG21 ' HA ' ' A' ' 19' ' ' GLU . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 67' ' ' VAL . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.714 HG11 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.544 HD13 HD13 ' A' ' 65' ' ' ILE . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 47' ' ' VAL . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.96 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 65' ' ' ILE . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CE1' ' HE1' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE1' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.655 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 62' ' ' VAL . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 89' ' ' VAL . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.881 HG11 HD13 ' A' ' 85' ' ' LEU . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' NH2' HG11 ' A' ' 44' ' ' VAL . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG11 ' NH2' ' A' ' 34' ' ' ARG . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 62' ' ' VAL . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 58' ' ' SER . 11.9 ptmm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . 20.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 62' ' ' VAL . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.9 HG21 HD11 ' B' ' 11' ' ' LEU . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.832 ' CD1' HD12 ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.832 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CG2' HD22 ' B' ' 11' ' ' LEU . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.692 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.507 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.697 0.285 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.692 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 65' ' ' ILE . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 48' ' ' LEU . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 45' ' ' LEU . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' NH2' HG11 ' A' ' 44' ' ' VAL . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG11 ' NH2' ' A' ' 34' ' ' ARG . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.582 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 27' ' ' GLU . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 HD11 ' B' ' 11' ' ' LEU . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.554 HH21 HG21 ' A' ' 81' ' ' THR . 39.3 mtp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' OE2' ' A' ' 90' ' ' GLU . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' OE2' HG22 ' A' ' 86' ' ' THR . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.571 HG21 HD13 ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.582 ' CG1' HG11 ' A' ' 47' ' ' VAL . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.552 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.972 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.691 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.709 HD11 HG21 ' A' ' 65' ' ' ILE . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 85' ' ' LEU . 1.3 p-90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' HB3' ' HE3' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.648 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 45' ' ' LEU . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 46' ' ' SER . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.691 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG21 ' HA ' ' A' ' 19' ' ' GLU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 97' ' ' ILE . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 76' ' ' VAL . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 67' ' ' VAL . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 65' ' ' ILE . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' HA ' HD23 ' B' ' 11' ' ' LEU . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.691 ' CG1' HG11 ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 99' ' ' GLU . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.431 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.7 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.586 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 32' ' ' LEU . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.901 ' CB ' HD23 ' A' ' 107' ' ' LEU . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 85' ' ' LEU . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.586 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' NH2' ' A' ' 34' ' ' ARG . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 27' ' ' GLU . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CB ' HD11 ' A' ' 48' ' ' LEU . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.567 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' O ' HG12 ' A' ' 76' ' ' VAL . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 85' ' ' LEU . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 66' ' ' LYS . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' HD1' HD12 ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.768 HD12 ' HD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 HG21 HD21 ' B' ' 11' ' ' LEU . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.457 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 HG11 ' A' ' 47' ' ' VAL . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.901 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 1.007 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 97' ' ' ILE . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 62' ' ' VAL . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 32' ' ' LEU . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CE2' HG11 ' A' ' 89' ' ' VAL . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 85' ' ' LEU . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' NH1' ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.803 HG11 ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 9' ' ' ALA . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.713 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.497 ' HB2' HG23 ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.497 HG23 ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' CD1' HD12 ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 31' ' ' PHE . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.803 ' CG1' HG11 ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.733 0.301 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.963 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.713 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.494 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' NH2' HG11 ' A' ' 44' ' ' VAL . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.578 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.641 ' O ' HD13 ' A' ' 60' ' ' LEU . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.643 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.55 ' N ' HG12 ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.798 HG21 HD11 ' B' ' 11' ' ' LEU . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.797 ' HB3' ' CD ' ' B' ' 10' ' ' GLU . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.797 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 65' ' ' ILE . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.83 ' CB ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 ' HG ' ' A' ' 85' ' ' LEU . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.635 ' HD3' HD11 ' A' ' 32' ' ' LEU . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 63' ' ' THR . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 62' ' ' VAL . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 97' ' ' ILE . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 81' ' ' THR . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.745 ' CD1' HD12 ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.745 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.624 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 65' ' ' ILE . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG21 ' A' ' 62' ' ' VAL . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.602 ' HG ' HD23 ' A' ' 32' ' ' LEU . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.904 ' NH2' HG11 ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.904 HG11 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 27' ' ' GLU . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 60' ' ' LEU . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.669 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.444 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 49' ' ' SER . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.548 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.667 HG21 HD11 ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' LEU . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.811 ' CD1' HD12 ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.811 HD12 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.475 ' CD ' HG12 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 95' ' ' THR . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 94' ' ' LYS . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.646 HG21 HD13 ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' B' ' 11' ' ' LEU . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG11 ' A' ' 47' ' ' VAL . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 21' ' ' LEU . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.634 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' ' 13' ' ' MET . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 85' ' ' LEU . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' NH2' HG11 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG11 ' NH2' ' A' ' 34' ' ' ARG . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.518 ' N ' HG12 ' A' ' 62' ' ' VAL . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.604 HG21 HD11 ' B' ' 11' ' ' LEU . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' HB3' HD13 ' A' ' 88' ' ' LEU . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 89' ' ' VAL . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.664 HG22 ' OE1' ' A' ' 90' ' ' GLU . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 85' ' ' LEU . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.664 ' OE1' HG22 ' A' ' 86' ' ' THR . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 91' ' ' HIS . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' ' 65' ' ' ILE . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.709 0.29 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 65' ' ' ILE . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 107' ' ' LEU . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 85' ' ' LEU . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.669 ' NH2' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG11 ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 19' ' ' GLU . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.811 HG23 ' HB2' ' B' ' 9' ' ' ALA . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 HD21 ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.665 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' LYS . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.644 ' CD1' HD12 ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 33' ' ' VAL . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 107' ' ' LEU . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 95' ' ' THR . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.704 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.58 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.468 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.811 ' HB2' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 33' ' ' VAL . 1.9 p-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 5.6 t60 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 85' ' ' LEU . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' HD11 ' A' ' 32' ' ' LEU . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.614 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 97' ' ' ILE . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HD1' HD12 ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 33' ' ' VAL . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.623 HD12 ' HD1' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 65' ' ' ILE . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.439 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.75 0.31 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' HG21 ' A' ' 62' ' ' VAL . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 48' ' ' LEU . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 HG12 ' A' ' 105' ' ' VAL . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.534 ' N ' HG12 ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.609 HD13 HG21 ' A' ' 97' ' ' ILE . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 81' ' ' THR . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.691 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 94' ' ' LYS . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG21 HD13 ' A' ' 65' ' ' ILE . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.499 HG12 HG11 ' A' ' 47' ' ' VAL . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 76' ' ' VAL . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 62' ' ' VAL . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.061 HD11 HD23 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' HD23 ' A' ' 48' ' ' LEU . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.061 HD23 HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 85' ' ' LEU . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG11 ' NH2' ' A' ' 34' ' ' ARG . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG11 HG12 ' A' ' 105' ' ' VAL . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 60' ' ' LEU . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.573 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 33' ' ' VAL . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD21 ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.762 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG12 HG11 ' A' ' 47' ' ' VAL . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.762 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.787 0.327 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.868 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.702 HD21 HG21 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 21' ' ' LEU . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 HE21 HD11 ' A' ' 21' ' ' LEU . 43.6 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 13' ' ' MET . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 46' ' ' SER . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 22' ' ' LEU . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 63' ' ' THR . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.674 HG23 ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.984 HG21 HD11 ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 76' ' ' VAL . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD22 ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.837 ' CD1' HD12 ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.837 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.585 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.61 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.475 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 63' ' ' THR . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.771 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' GLN . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.881 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.771 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.727 ' NH2' HG11 ' A' ' 44' ' ' VAL . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.727 HG11 ' NH2' ' A' ' 34' ' ' ARG . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 19' ' ' GLU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.423 ' N ' HG12 ' A' ' 62' ' ' VAL . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.957 HG21 HD11 ' B' ' 11' ' ' LEU . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.402 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 68' ' ' MET . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' THR . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 HG11 ' A' ' 33' ' ' VAL . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.67 HG11 ' CE2' ' A' ' 31' ' ' PHE . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG3' HG23 ' A' ' 95' ' ' THR . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 94' ' ' LYS . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.66 ' CG2' HD13 ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.881 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' C ' HD23 ' B' ' 11' ' ' LEU . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.957 HD11 HG21 ' A' ' 65' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' GLY . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.903 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 85' ' ' LEU . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 105' ' ' VAL . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' HG12 ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.54 HG23 HD21 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' O ' HG12 ' A' ' 76' ' ' VAL . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.466 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.644 HD13 HG11 ' A' ' 33' ' ' VAL . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.725 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.748 ' CG2' HD11 ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' B' ' 11' ' ' LEU . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.903 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.9 m-70 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 21' ' ' LEU . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.696 ' NH2' HG11 ' A' ' 44' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG11 ' NH2' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 19' ' ' GLU . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.552 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.914 HG21 HD11 ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.783 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.783 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HD2' HG12 ' A' ' 89' ' ' VAL . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 65' ' ' ILE . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.699 ' CG1' HG11 ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' HG21 ' A' ' 30' ' ' THR . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.427 ' O ' HD23 ' B' ' 11' ' ' LEU . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.914 HD11 HG21 ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.519 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.816 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 85' ' ' LEU . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.579 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG11 ' NH2' ' A' ' 34' ' ' ARG . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 62' ' ' VAL . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 19' ' ' GLU . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 62' ' ' VAL . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.919 HG21 HD11 ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 79' ' ' LEU . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 33' ' ' VAL . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.72 ' CG2' HD22 ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.816 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.702 0.287 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.919 HD11 HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' NH1' ' A' ' 34' ' ' ARG . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 48' ' ' LEU . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.868 ' CB ' HD23 ' A' ' 107' ' ' LEU . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 45' ' ' LEU . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.729 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.681 HG21 HD11 ' B' ' 11' ' ' LEU . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CD2' HD22 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 94' ' ' LYS . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.481 ' HA ' HD23 ' B' ' 11' ' ' LEU . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.867 HG12 HG11 ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.868 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 65' ' ' ILE . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 69.7 43.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -99.65 113.63 26.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.0 -144.45 4.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -92.04 96.26 10.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -102.9 170.28 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -168.27 39.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -88.23 -29.16 20.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -51.65 122.25 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -93.8 -68.19 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.08 -72.91 0.47 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.53 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -124.03 126.03 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.7 ttm -169.91 154.57 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.696 ' CB ' HD11 ' A' ' 37' ' ' LEU . 58.6 p -118.52 145.31 45.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.05 -23.0 0.37 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.31 -34.89 28.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.14 -41.58 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.93 -61.19 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.589 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 mt-10 -44.83 -37.27 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -74.82 -45.43 43.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.193 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.36 -64.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.599 HD21 HD23 ' A' ' 32' ' ' LEU . 85.9 mt -42.33 -51.47 4.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -62.12 -42.26 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.75 -49.05 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -63.78 -44.3 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 36.75 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 48' ' ' LEU . 9.6 mm-40 -113.74 120.53 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.77 147.88 63.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 22.2 m95 62.98 37.58 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.9 m -101.95 115.65 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.3 p90 -105.84 153.34 22.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -150.04 130.57 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 85' ' ' LEU . 45.7 t -94.66 130.79 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' NH2' HG11 ' A' ' 44' ' ' VAL . 52.3 ptt85 -139.34 161.78 36.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.84 148.08 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.7 p -60.54 -176.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 14' ' ' SER . 37.9 mt -127.74 -41.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -126.21 6.68 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' ASP . 13.1 mm100 -102.41 144.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.3 Cg_endo -69.74 116.89 4.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 37.01 48.75 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 30.2 m-20 -118.97 171.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -134.15 174.46 10.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' B' ' 8' ' ' PTR . 94.2 t -133.8 129.04 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -96.94 108.18 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -106.98 123.31 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 105' ' ' VAL . 1.6 t -126.03 138.13 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.2 tp -93.32 115.59 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -78.29 153.0 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.6 t70 -82.14 15.66 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -115.43 124.11 30.55 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.23 69.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.262 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.85 -37.13 81.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.98 -67.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.95 -143.03 4.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 88.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.392 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.23 -2.94 2.67 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.416 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 p -108.22 154.77 41.12 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.27 66.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.34 133.35 42.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -63.63 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG21 ' HA ' ' A' ' 19' ' ' GLU . 58.6 t -107.46 158.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 62' ' ' VAL . 25.9 m -126.47 113.16 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -97.49 104.38 16.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.3 mt -103.29 105.26 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.46 119.27 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 98.8 t -101.77 115.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.8 mtm -87.87 139.96 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.22 115.71 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.1 90.4 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.85 -77.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.39 14.13 4.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.27 -179.48 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -144.53 150.71 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -158.9 168.51 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 67' ' ' VAL . 4.2 m -150.92 112.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.14 -50.84 2.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -97.6 -175.74 34.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -87.14 -25.04 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -38.34 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -98.45 101.11 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 88' ' ' LEU . 45.0 m-85 -69.3 154.41 42.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.98 -32.68 69.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 m -165.69 165.34 18.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -56.98 -30.39 64.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.6 m -59.28 -37.21 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.65 -47.14 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.7 tt -56.36 -41.51 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.714 HG11 ' CE2' ' A' ' 31' ' ' PHE . 77.4 t -73.93 -50.6 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -50.86 -49.55 58.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -51.84 -39.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 96' ' ' GLY . 22.9 m-85 -77.54 -29.52 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -60.66 -26.8 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 -42.09 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.3 p -87.18 -47.79 8.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.39 173.06 28.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.544 HD13 HD13 ' A' ' 65' ' ' ILE . 56.0 mt -115.92 140.3 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 tt0 -111.02 119.57 39.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.6 mt-10 -85.66 145.75 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -35.28 -56.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -55.42 -38.97 69.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 137.54 -20.64 3.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.11 136.5 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.053 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.9 m-85 -108.95 102.94 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG11 HG21 ' A' ' 47' ' ' VAL . 21.6 t -84.27 117.98 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 26.7 m-85 -106.8 135.45 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.6 107.95 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -122.42 -28.26 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -107.19 104.55 52.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.75 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -42.05 110.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -84.59 156.1 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -50.84 -58.7 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.16 145.78 9.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.46 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 m -63.74 98.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.9 m -126.53 154.03 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 62.4 p 38.57 34.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.0 172.3 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -122.27 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.86 76.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.564 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -44.94 145.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -96.43 147.37 23.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.579 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.27 139.06 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.96 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 14.5 tt0 -96.64 72.24 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.56 ' CD2' HG21 ' A' ' 65' ' ' ILE . 4.2 mp -41.57 161.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -119.91 136.12 54.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -146.83 -175.23 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' LEU . 6.1 pt20 -38.38 -43.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 43.74 41.55 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.06 170.29 12.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.33 55.13 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -136.57 170.95 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t 62.79 41.0 9.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.83 -129.93 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.452 ' CE3' ' N ' ' A' ' 9' ' ' TYR . 2.0 p-90 -61.0 -44.52 97.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.452 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 13.5 t80 -38.8 120.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CE1' ' HE1' ' A' ' 13' ' ' MET . 22.0 m-70 -84.25 -67.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.01 -41.74 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -157.58 111.65 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.337 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE1' ' CE1' ' A' ' 10' ' ' HIS . 26.4 ttm -165.29 142.14 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.558 ' OG ' HD13 ' A' ' 37' ' ' LEU . 1.2 t -106.33 159.36 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.787 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.15 -9.78 6.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.3 -24.77 42.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -93.58 -42.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.55 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.655 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.5 mt-10 -39.33 -39.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 36.5 m -69.77 -54.04 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.14 -62.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 62' ' ' VAL . 12.5 mt -46.24 -66.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -52.74 -37.39 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -61.15 -44.18 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 111' ' ' TYR . 12.6 ttpt -62.71 -46.24 89.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.93 9.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -121.23 117.92 30.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.75 142.46 48.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.4 m95 66.45 35.22 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.8 m -98.72 115.68 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.043 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 89' ' ' VAL . 7.5 p90 -106.97 148.82 28.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -147.09 130.61 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.881 HG11 HD13 ' A' ' 85' ' ' LEU . 73.7 t -93.88 134.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' NH2' HG11 ' A' ' 44' ' ' VAL . 19.1 ptt-85 -142.94 162.76 34.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -76.66 151.35 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -90.57 124.09 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' OG ' ' A' ' 14' ' ' SER . 5.5 mp -78.85 -49.78 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.0 m -48.73 -53.82 17.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.4 130.6 23.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.63 10.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 43' ' ' PHE . . . 100.15 -35.74 4.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.395 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.14 176.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 41' ' ' GLY . 84.9 m-85 -148.6 158.19 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG13 ' HE1' ' B' ' 8' ' ' PTR . 59.1 t -125.79 128.79 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -97.06 102.79 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.3 t -95.63 141.58 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.4 t -146.15 142.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 62' ' ' VAL . 15.1 tp -98.59 118.16 34.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.9 p -76.91 153.92 34.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 18.1 t0 -83.27 19.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -126.79 121.67 23.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.691 0.758 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 148.45 64.97 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.679 2.252 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 58' ' ' SER . 11.9 ptmm? -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB3' ' OG ' ' A' ' 58' ' ' SER . . . -86.78 -72.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 144.96 -60.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.83 -51.17 0.39 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.656 2.238 . . . . 0.0 112.273 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.88 81.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 20.0 p -145.02 154.72 55.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -46.77 129.8 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -61.6 136.38 57.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.6 t -99.8 156.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 62' ' ' VAL . 42.3 m -130.35 124.66 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -107.1 111.03 23.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.9 HG21 HD11 ' B' ' 11' ' ' LEU . 58.5 mt -106.24 108.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 52.7 mttt -54.17 126.89 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.5 t -108.9 111.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.4 mtm -82.9 127.9 33.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.5 t -109.25 117.43 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -91.5 56.9 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.7 63.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.69 -22.11 5.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -125.67 174.51 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -141.03 145.82 36.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -153.54 165.24 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 19.6 m -150.7 112.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.828 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.09 -53.39 2.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.87 -166.96 29.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -90.59 -22.52 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.2 pm0 -34.55 93.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 79' ' ' LEU . 32.8 p -97.57 102.79 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.832 ' CD1' HD12 ' A' ' 88' ' ' LEU . 19.0 m-85 -79.25 147.46 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.27 -41.41 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 m -157.39 173.56 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 HG11 ' A' ' 33' ' ' VAL . 12.9 mt -61.96 -31.42 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.9 m -61.64 -28.81 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -89.91 -48.2 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.832 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.4 tt -57.23 -35.38 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 31' ' ' PHE . 98.0 t -81.15 -41.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.64 -24.32 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -78.97 -31.66 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 24.5 m-85 -87.36 -23.37 24.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -23.6 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 pttp -102.4 -36.69 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.7 p -96.01 -49.29 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 105.24 168.45 23.93 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CG2' HD22 ' B' ' 11' ' ' LEU . 95.2 mt -112.06 130.71 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -106.72 120.05 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -73.82 144.59 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.692 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -43.14 -31.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m -75.23 -41.65 57.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.0 -32.78 1.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.77 145.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.086 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 18.9 m-85 -118.21 108.08 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.507 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.0 t -91.41 115.28 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.4 m-85 -103.53 132.95 49.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -111.27 107.96 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 -123.84 -28.83 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.86 96.79 15.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.7 Cg_endo -69.68 98.33 0.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 4.2 t80 -62.72 127.36 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 110' ' ' PRO . 2.5 m-85 -102.01 -64.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.8 t -154.67 173.22 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -143.22 139.16 8.71 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.32 2.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.7 m -43.68 -41.14 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.6 m 44.72 34.38 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.34 156.71 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 167.41 28.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -121.24 -12.57 8.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -81.21 125.02 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.762 HD12 ' H ' ' B' ' 6' ' ' ILE . 2.6 mp -84.93 140.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.5 m -88.47 129.89 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.671 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 63' ' ' THR . . . -129.32 97.68 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.692 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.6 pt-20 -49.96 152.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 65' ' ' ILE . 65.0 mt -116.03 173.67 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -108.86 102.89 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -78.77 170.49 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.3 pp0? -53.65 -47.51 70.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' B' ' 13' ' ' LEU . 20.6 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -75.05 126.5 31.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -146.99 117.76 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 167.62 12.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -56.47 121.98 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -99.88 80.57 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.07 173.14 14.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -93.11 1.89 56.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -82.69 141.87 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -118.48 -64.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.71 -142.36 17.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -43.57 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.713 0.292 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.6 ttm -163.96 129.26 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 p -96.63 158.69 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.37 -41.67 12.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -41.17 94.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -71.09 -40.98 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -59.35 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.17 -42.62 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -65.19 -56.09 14.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 71.4 mt -57.32 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 48' ' ' LEU . 13.0 mt -38.7 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -57.27 -33.28 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -56.58 -49.68 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -56.49 -45.61 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.67 33.32 38.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.8 mm-40 -117.85 120.34 32.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.79 148.06 64.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 66.9 37.22 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -102.9 115.21 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.8 p90 -106.0 154.47 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.47 134.17 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 45' ' ' LEU . 28.0 t -97.29 141.51 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' NH2' HG11 ' A' ' 44' ' ' VAL . 16.5 ptt-85 -149.89 164.53 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 8.5 mm-40 -77.33 139.1 39.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -66.97 159.39 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.43 -19.89 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -114.38 -52.57 2.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.11 140.81 97.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.3 Cg_endo -69.79 129.22 17.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 35.39 49.07 0.91 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -122.22 -178.13 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CE2' ' CD ' ' A' ' 35' ' ' GLU . 54.5 m-85 -139.95 161.73 36.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG11 ' NH2' ' A' ' 34' ' ' ARG . 85.9 t -121.06 128.45 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -93.07 104.12 16.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.99 136.64 36.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.582 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.9 t -141.34 136.54 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 27' ' ' GLU . 28.4 tp -94.24 123.82 37.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 p -87.69 148.01 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 3.09 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.38 124.84 36.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 152.6 69.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -75.21 -38.56 60.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.7 82.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.15 -161.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.07 39.53 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.31 24.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -89.15 155.85 49.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.11 39.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.22 138.18 26.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -66.89 147.35 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 63' ' ' THR . 71.8 t -113.8 158.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 62' ' ' VAL . 66.9 m -129.12 131.74 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -112.28 113.34 25.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 HD11 ' B' ' 11' ' ' LEU . 62.1 mt -108.93 115.88 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 21.1 mttp -62.19 111.76 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 78.4 t -93.31 120.77 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.3 mtm -96.67 124.68 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -108.93 141.45 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -127.88 61.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.15 93.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.85 15.08 81.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.554 HH21 HG21 ' A' ' 81' ' ' THR . 39.3 mtp180 -144.92 166.02 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 88' ' ' LEU . 87.1 m-85 -150.73 149.22 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -154.63 163.14 40.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.3 m -149.0 112.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.424 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 75.17 -53.34 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.23 -163.86 34.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 pp -101.21 -20.88 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -41.66 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 79' ' ' LEU . 23.0 p -93.46 107.88 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 24.5 m-85 -78.7 149.83 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -53.16 -32.15 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -167.84 168.2 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.59 -34.69 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' OE2' ' A' ' 90' ' ' GLU . 95.8 m -56.09 -33.37 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.79 -45.93 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 3.6 tt -56.3 -37.36 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 31' ' ' PHE . 88.1 t -81.76 -43.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' OE2' HG22 ' A' ' 86' ' ' THR . 19.5 mt-10 -55.61 -39.53 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -64.34 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.1 m-85 -81.14 -26.59 35.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -64.13 -25.51 68.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 14.4 ptmt -103.61 -38.1 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 54.4 p -92.42 -48.1 6.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 100.58 157.94 27.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.571 HG21 HD13 ' A' ' 65' ' ' ILE . 90.1 mt -98.21 131.98 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.48 122.15 45.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.7 151.86 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' B' ' 10' ' ' GLU . . . -51.18 -32.63 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -75.79 -41.32 53.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.15 -35.42 1.16 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.98 146.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.36 112.84 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.582 ' CG1' HG11 ' A' ' 47' ' ' VAL . 61.8 t -91.78 130.69 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.552 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.7 m-85 -114.97 133.72 55.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.972 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -115.94 107.89 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -124.2 -25.59 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -109.9 97.13 27.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.77 88.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.81 112.24 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 110' ' ' PRO . 87.5 m-85 -90.03 147.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -64.21 -30.14 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.37 -113.29 5.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.55 33.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.2 m -119.43 41.85 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 t -148.08 139.13 23.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -118.17 160.29 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -118.19 141.41 48.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -39.87 -61.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 100.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.657 HD12 ' H ' ' B' ' 6' ' ' ILE . 5.2 mp -64.68 152.45 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.417 ' N ' HG22 ' B' ' 6' ' ' ILE . 95.2 m -95.03 114.16 25.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' GLU . . . -126.43 90.16 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.691 ' HG3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 pt-20 -38.18 156.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.709 HD11 HG21 ' A' ' 65' ' ' ILE . 68.5 mt -121.81 168.18 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -100.19 143.4 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 77' ' ' GLY . 8.3 mp -95.44 173.79 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -45.26 -46.22 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -116.49 123.43 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -103.03 -55.69 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.54 -173.76 45.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -99.02 -61.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -44.49 160.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.4 -25.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 85' ' ' LEU . 1.3 p-90 -93.21 -0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -74.03 108.08 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' HB3' ' HE3' ' A' ' 13' ' ' MET . 7.1 m-70 -90.75 38.36 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.08 -106.64 0.03 OUTLIER Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.443 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -104.2 137.59 41.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 34.3 ttm -174.73 138.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -96.1 150.04 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -51.53 -15.39 1.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.52 26.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -77.58 -40.57 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.68 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.648 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt-10 -42.06 -43.49 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -70.26 -41.27 73.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 16.3 mt -67.94 -65.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -42.77 -48.78 5.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -66.93 -26.45 66.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -58.68 -50.13 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 ttpm? -66.23 -43.33 86.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.61 35.29 22.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.02 119.49 40.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.81 150.44 67.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 16.9 m95 68.58 31.52 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.5 m -97.63 113.01 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.39 153.15 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -153.24 131.62 12.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 45' ' ' LEU . 92.6 t -94.96 132.88 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' NH2' ' O3P' ' B' ' 8' ' ' PTR . 21.7 ptt-85 -142.93 163.08 33.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -78.94 135.34 36.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -62.79 154.67 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -104.1 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -64.65 -51.32 63.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -92.52 106.65 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 119.12 6.11 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.29 -37.92 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -78.2 171.75 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -128.54 163.76 24.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG13 ' HE2' ' B' ' 8' ' ' PTR . 57.7 t -121.87 136.91 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -106.26 102.76 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 1.7 t -94.0 139.75 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.691 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.7 t -145.16 131.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD1' HG22 ' A' ' 62' ' ' VAL . 12.6 tp -87.13 122.2 30.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -85.58 155.2 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -103.04 121.04 50.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.539 0.685 . . . . 0.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 153.61 68.55 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.731 2.288 . . . . 0.0 112.267 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -80.05 -17.57 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 58' ' ' SER . . . -135.28 161.36 35.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -60.74 -60.04 9.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.6 Cg_endo -69.77 -170.33 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.78 89.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 p -125.78 159.32 61.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.826 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 146.28 59.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 140.67 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -67.31 144.07 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG21 ' HA ' ' A' ' 19' ' ' GLU . 43.1 t -110.02 151.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.9 m -126.47 127.89 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -107.69 114.36 28.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 97' ' ' ILE . 49.7 mt -109.38 110.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 23.6 mtmt -61.04 116.52 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 76' ' ' VAL . 60.5 t -100.51 120.68 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 47.2 mtm -90.45 133.92 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 51.3 t -122.01 116.37 24.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -90.91 46.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.49 73.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.61 -33.16 3.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.407 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -124.44 169.27 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 85' ' ' LEU . 99.6 m-85 -135.57 145.87 47.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -153.72 161.53 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 67' ' ' VAL . 15.6 m -145.54 112.16 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.94 -54.28 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' HD22 ' B' ' 13' ' ' LEU . . . -97.25 -172.37 33.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -84.29 -22.13 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.8 pt-20 -34.55 94.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.8 p -103.7 100.96 10.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 88' ' ' LEU . 26.4 m-85 -77.54 167.68 21.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -71.27 -34.67 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -163.92 -179.69 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.6 mm? -63.95 -35.24 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 31.2 m -59.11 -37.24 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -81.25 -52.61 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.2 tt -57.98 -35.68 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 85' ' ' LEU . 94.2 t -80.18 -47.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 86' ' ' THR . 34.8 mt-10 -50.81 -43.62 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -59.96 -45.27 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.32 -25.94 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 31' ' ' PHE . 43.8 mttt -62.84 -25.5 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -103.88 -45.0 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -84.83 -49.04 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.19 153.12 26.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 65' ' ' ILE . 62.0 mt -91.19 129.5 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.8 tt0 -100.56 120.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' HA ' HD23 ' B' ' 11' ' ' LEU . 7.9 mt-10 -83.66 140.96 31.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' B' ' 12' ' ' ASN . . . -42.03 -42.21 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -57.34 -39.6 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 17.4 1.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.45 165.25 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 23.2 m-85 -132.17 113.44 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.691 ' CG1' HG11 ' A' ' 47' ' ' VAL . 39.0 t -92.23 126.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 11.1 m-85 -109.5 125.32 52.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -106.91 108.4 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -125.8 -31.2 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.42 94.71 8.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.5 Cg_endo -69.85 84.79 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.414 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 5.9 t80 -41.6 104.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 4.7 m-85 -70.08 163.63 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.7 m -58.46 -38.07 76.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.91 145.22 29.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -116.3 -53.5 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.6 m -81.74 166.38 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 81.4 p -88.9 110.69 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 4' ' ' GLN . 2.8 pm0 -146.23 144.18 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -36.93 153.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.91 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.524 HD13 ' HA3' ' A' ' 15' ' ' GLY . 8.5 mt -74.98 141.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.0 m -100.08 124.18 45.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.544 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.49 127.7 54.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -68.96 165.72 19.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 99' ' ' GLU . 35.8 mt -130.58 165.76 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.431 ' CG ' ' HA ' ' A' ' 100' ' ' ALA . 29.9 m-20 -102.99 144.27 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 78' ' ' GLY . 4.5 mt -111.63 177.86 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -44.12 -42.57 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -90.8 110.19 21.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -88.91 -45.93 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.45 59.83 10.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -54.27 -47.68 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -41.78 150.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.23 177.22 17.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.7 p-90 -55.46 -31.19 61.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.52 127.99 24.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 58.1 m-70 -104.98 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.83 -94.52 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -93.96 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 21' ' ' LEU . 12.9 tpp -155.82 145.98 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.7 p -115.01 157.68 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.586 ' N ' HH12 ' A' ' 34' ' ' ARG . . . -49.46 -37.06 25.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 -34.54 51.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.543 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -72.13 -44.35 63.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 -60.97 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.3 mt-10 -46.47 -43.49 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -64.95 -55.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 52.1 mt -54.61 -65.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 ' HG ' HD23 ' A' ' 32' ' ' LEU . 23.7 mt -39.73 -56.58 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.97 -29.14 70.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.32 -51.19 67.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -60.38 -47.9 84.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.93 38.86 8.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.425 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.1 mm-40 -122.1 122.78 27.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.69 145.97 59.16 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.4 m95 69.34 36.84 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -102.69 115.02 29.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.901 ' CB ' HD23 ' A' ' 107' ' ' LEU . 2.9 p90 -107.23 151.96 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -149.09 133.81 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 85' ' ' LEU . 93.4 t -94.75 133.41 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 HH12 ' N ' ' A' ' 15' ' ' GLY . 13.2 ptt180 -137.27 172.05 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 59.6 mt-10 -102.96 143.49 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 p -60.2 171.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.6 -37.64 5.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -121.3 -41.88 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -49.52 139.19 15.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.86 123.01 9.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.78 55.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 8.0 t70 -123.27 175.68 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 14.1 m-85 -147.13 166.54 26.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HE2' ' B' ' 8' ' ' PTR . 92.3 t -126.78 130.49 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.14 104.35 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -96.26 140.67 30.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -144.25 133.19 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 27' ' ' GLU . 21.5 tp -87.89 120.43 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.0 p -82.71 154.04 25.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.05 5.23 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -108.74 125.64 31.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 157.56 60.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -83.77 -21.92 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -132.73 -174.55 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.35 -158.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 87.5 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 141.5 38.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.543 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 2.6 p -136.12 157.75 75.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.44 68.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CB ' HD11 ' A' ' 48' ' ' LEU . 1.1 mp -65.95 136.41 56.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -66.12 148.84 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 63' ' ' THR . 58.5 t -112.91 161.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.567 ' N ' HG12 ' A' ' 62' ' ' VAL . 19.1 m -135.11 115.25 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.769 ' NE2' HG22 ' B' ' 6' ' ' ILE . 46.1 m-70 -94.62 107.05 19.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 97' ' ' ILE . 7.8 mt -101.81 96.7 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' O ' HG12 ' A' ' 76' ' ' VAL . 52.1 mttt -44.23 130.06 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 85' ' ' LEU . 93.4 t -105.7 90.88 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -63.14 129.61 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -113.03 109.03 18.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.23 46.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.7 69.53 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.56 -33.46 3.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.57 171.53 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -137.94 146.7 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.9 t -152.2 158.32 42.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 66' ' ' LYS . 5.3 m -140.06 114.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 33.38 50.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.613 ' CA ' HD13 ' B' ' 13' ' ' LEU . . . -176.24 170.06 42.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.83 -15.11 57.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.4 103.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 106.63 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' HD1' HD12 ' A' ' 88' ' ' LEU . 11.4 m-85 -88.24 150.96 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.94 -39.49 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -145.1 168.47 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 33' ' ' VAL . 45.0 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.4 m -58.79 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.4 -35.2 17.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.768 HD12 ' HD1' ' A' ' 82' ' ' PHE . 4.6 tt -67.34 -39.72 85.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 92.0 t -74.51 -49.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.7 -14.41 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -86.83 -38.09 17.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLY . 27.9 m-85 -84.96 -24.38 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -103.59 -38.87 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 p -87.41 -49.06 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 96.9 149.97 26.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 HG21 HD21 ' B' ' 11' ' ' LEU . 38.7 mt -93.38 148.16 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -115.18 114.88 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 100' ' ' ALA . 18.5 mt-10 -76.83 149.6 36.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.81 -58.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -53.7 -44.74 70.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 140.47 -16.08 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.04 135.59 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.457 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 21.9 m-85 -102.26 112.14 24.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 HG11 ' A' ' 47' ' ' VAL . 31.4 t -85.23 116.97 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.6 m-85 -102.36 125.27 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.901 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -108.94 107.25 17.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -123.97 -28.73 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -105.49 92.94 6.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.717 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 52.9 Cg_endo -69.84 92.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 7.4 t80 -54.34 108.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.63 165.46 18.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 p -58.24 -43.48 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.41 121.52 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 p -140.04 116.32 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m 59.72 53.55 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.861 0.363 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p 43.8 40.76 3.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -134.91 99.73 4.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -123.41 56.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 6' ' ' ILE . 26.7 mt-10 -152.15 140.13 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.769 HG22 ' NE2' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -34.11 136.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.407 ' O ' HG22 ' B' ' 7' ' ' THR . 12.8 m -124.21 -15.1 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.606 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.15 160.53 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 1.007 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.1 mt-10 -113.77 70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 97' ' ' ILE . 3.8 mp -39.78 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -102.05 156.32 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.613 HD13 ' CA ' ' A' ' 78' ' ' GLY . 2.0 pt? -169.49 152.71 4.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' B' ' 13' ' ' LEU . 17.6 mt-30 33.19 34.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 13' ' ' LEU . 23.9 pttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -80.79 87.74 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -111.01 162.47 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 113.12 3.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' GLY . 60.3 p -60.88 -40.6 93.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 38.97 26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 76.51 166.66 23.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.5 p-90 -59.56 -26.73 65.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.07 132.37 49.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.05 -68.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.98 -53.11 0.71 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -147.88 130.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.2 ttm -173.87 145.28 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 37' ' ' LEU . 93.8 p -105.3 150.22 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.78 -33.36 4.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.44 -26.22 63.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -79.1 -37.54 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . . . -61.39 -65.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 62' ' ' VAL . 10.2 mt-10 -36.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -73.44 -54.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD22 ' HA3' ' A' ' 114' ' ' GLY . 92.6 mt -58.75 -60.26 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 32' ' ' LEU . 67.1 mt -46.36 -47.55 18.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -70.11 -25.15 63.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.46 -53.63 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -61.16 -45.77 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.23 51.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' HD23 ' A' ' 48' ' ' LEU . 20.2 mm-40 -101.45 118.11 60.59 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.0 Cg_endo -69.76 151.88 69.17 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.3 m95 65.25 32.94 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -99.94 116.85 32.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.737 ' CE2' HG11 ' A' ' 89' ' ' VAL . 5.3 p90 -107.57 152.84 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -152.62 133.86 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 85' ' ' LEU . 47.5 t -93.64 141.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' NH1' ' HB2' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -150.02 154.62 38.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 9.0 pt-20 -80.38 137.66 36.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 138.86 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 14' ' ' SER . 46.1 mt -87.23 -53.6 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -57.58 -47.61 81.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -100.15 107.1 45.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 112.16 3.01 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.8 7.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.2 170.19 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.707 0.289 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 78.4 m-85 -131.85 163.19 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' B' ' 8' ' ' PTR . 86.6 t -124.46 129.6 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -98.05 117.2 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.95 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -110.33 137.45 48.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG11 ' CG1' ' A' ' 105' ' ' VAL . 9.8 t -142.95 131.93 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 27' ' ' GLU . 18.8 tp -87.3 120.63 28.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -82.9 147.56 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -70.64 0.18 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.02 126.71 35.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.05 51.13 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.73 2.287 . . . . 0.0 112.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -89.11 -16.67 30.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -140.0 -175.02 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.92 -69.71 1.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' GLY . 54.7 Cg_endo -69.66 104.77 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.406 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' PRO . . . 33.48 92.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.99 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -131.48 152.17 80.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 52.9 Cg_endo -69.79 134.71 28.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.72 139.83 31.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -68.77 146.9 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.5 t -113.7 158.92 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 9' ' ' ALA . 54.4 m -133.51 123.68 25.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.692 ' CD2' HG21 ' B' ' 6' ' ' ILE . 8.5 m-70 -106.12 113.01 26.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.713 HG21 ' CD2' ' B' ' 11' ' ' LEU . 9.9 mt -106.5 107.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -49.05 119.14 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 60.9 t -103.7 99.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.497 ' HB2' HG23 ' A' ' 75' ' ' THR . 29.3 mtm -73.11 127.35 32.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.4 t -114.8 116.75 29.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' OE1' HG21 ' A' ' 81' ' ' THR . 42.3 mt-10 -111.67 97.02 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.89 -90.17 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.91 23.47 4.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 2.5 mpt_? -126.33 179.32 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 61.9 m-85 -144.66 152.76 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.497 HG23 ' HB2' ' A' ' 68' ' ' MET . 14.7 t -156.67 167.07 31.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.0 m -148.19 112.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.598 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.05 -51.7 2.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.628 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -96.28 -166.41 33.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 81' ' ' THR . 2.2 pp -95.79 -29.55 14.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' LEU . 27.1 mp0 -34.35 95.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 79' ' ' LEU . 24.6 p -94.93 102.04 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' CD1' HD12 ' A' ' 88' ' ' LEU . 49.5 m-85 -67.35 152.76 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.47 -24.33 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -174.14 167.26 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 9.2 mt -56.9 -34.92 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -62.22 -35.49 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.22 -29.62 28.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.3 tt -76.64 -33.09 58.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 31' ' ' PHE . 85.1 t -84.36 -45.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 91' ' ' HIS . 1.9 pp20? -53.61 -42.75 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 90' ' ' GLU . 55.7 t-80 -60.91 -37.51 82.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 28.3 m-85 -80.69 -20.83 42.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -66.51 -26.15 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' HIS . 8.7 pttm -103.86 -38.1 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -91.13 -49.76 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.98 160.82 26.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -101.21 140.12 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -109.57 127.85 54.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 102' ' ' GLY . 29.5 mt-10 -92.56 142.86 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -32.6 -55.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.5 p -56.55 -44.32 80.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.47 -24.75 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.51 138.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 18.9 m-85 -113.91 109.7 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.803 ' CG1' HG11 ' A' ' 47' ' ' VAL . 37.1 t -83.58 127.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -113.68 123.63 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.17 97.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -116.84 -33.06 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -106.16 96.19 12.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 52.8 Cg_endo -69.76 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -47.9 125.9 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -92.49 -56.22 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.0 m -152.52 172.49 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.744 ' HA3' HD22 ' A' ' 21' ' ' LEU . . . -126.82 115.21 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.26 -45.74 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.7 t -74.8 143.87 43.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.517 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.98 0.419 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 2' ' ' THR . 14.6 m -88.21 46.88 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 50.23 51.69 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -106.88 56.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -135.83 130.74 34.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.809 HD13 ' O3P' ' B' ' 8' ' ' PTR . 1.2 mp -98.7 148.57 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -93.9 -21.35 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.809 ' O3P' HD13 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 63' ' ' THR . . . -104.83 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.963 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 12.9 mt-10 -129.66 57.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.713 ' CD2' HG21 ' A' ' 65' ' ' ILE . 3.3 mp -40.65 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -109.9 89.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.761 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -58.39 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -43.95 -31.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -85.21 144.81 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -118.42 109.46 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.38 43.25 2.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -170.18 160.18 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.77 89.35 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -148.92 19.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -108.78 11.57 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.313 . . . . 0.0 110.931 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -87.83 135.53 33.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.13 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.75 -152.17 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.95 107.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 34.1 ttm -170.03 132.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.19 154.93 17.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.39 -17.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.05 -29.68 64.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -86.14 -53.73 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.337 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLU . . . -39.64 -56.83 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -37.55 -38.73 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -72.53 -55.65 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -57.98 -66.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 32' ' ' LEU . 12.8 mt -37.56 -62.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 67.8 mt-30 -53.86 -35.23 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.21 -33.27 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 3.2 tmtp? -59.76 -42.07 92.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.2 7.84 88.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 5.9 mm-40 -107.73 120.9 45.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.1 Cg_endo -69.83 155.67 65.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.8 m95 60.15 37.1 20.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 31.2 m -102.92 116.95 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.0 p90 -105.25 152.48 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -148.11 131.42 16.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.494 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 21.7 t -94.41 136.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' NH2' HG11 ' A' ' 44' ' ' VAL . 38.7 ptt85 -145.28 179.96 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.3 154.74 19.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -89.51 168.35 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.1 mp -130.97 -37.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.2 m -81.75 -45.84 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -87.5 138.64 31.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.526 0.679 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.9 Cg_endo -69.81 139.63 40.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.88 56.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.48 -179.28 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -140.16 160.63 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG13 ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -123.76 133.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 119.54 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -112.63 139.69 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.3 t -143.21 141.15 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -98.13 122.39 41.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.641 ' O ' HD13 ' A' ' 60' ' ' LEU . 42.2 p -78.76 173.28 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 29.2 t70 -102.21 32.76 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.643 ' N ' HD22 ' A' ' 60' ' ' LEU . 36.3 mm-40 -140.43 123.6 10.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.58 68.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.397 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -78.35 -18.6 54.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' CB ' ' A' ' 58' ' ' SER . . . -128.04 171.55 11.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -68.87 -59.54 5.91 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.446 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.8 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.34 95.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 p -134.65 157.46 77.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.816 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.79 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.623 2.216 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 51' ' ' GLN . 27.4 mt -74.91 135.7 41.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -54.56 140.59 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 63' ' ' THR . 90.6 t -107.58 160.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.55 ' N ' HG12 ' A' ' 62' ' ' VAL . 3.8 m -132.53 125.21 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.68 113.97 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.798 HG21 HD11 ' B' ' 11' ' ' LEU . 36.9 mt -107.69 129.55 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' B' ' 8' ' ' PTR . 10.1 mmtt -70.44 119.97 15.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.04 121.22 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 4.7 mpp? -98.37 127.34 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.07 120.31 39.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -112.22 101.4 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.4 -87.71 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.31 31.46 3.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -136.58 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.96 145.04 35.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 11.9 t -148.09 167.99 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.06 112.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' C ' HD21 ' B' ' 13' ' ' LEU . . . 75.3 -51.5 2.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.24 -166.87 25.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 81' ' ' THR . 4.1 pp -87.6 -20.69 26.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 9.0 pt-20 -35.17 94.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 79' ' ' LEU . 6.1 p -102.53 99.55 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 88' ' ' LEU . 36.1 m-85 -73.17 156.62 38.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.5 -30.1 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -168.89 172.74 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.1 mt -62.4 -34.63 77.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 33.7 m -59.63 -29.67 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.02 -47.24 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.8 tt -56.68 -35.68 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 61.0 t -81.95 -48.41 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' THR . 5.7 mm-40 -49.39 -39.34 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.87 -40.34 94.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' GLY . 17.7 m-85 -75.5 -25.96 57.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.88 -28.33 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -103.73 -38.17 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.8 p -88.99 -47.14 8.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 94.06 150.97 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.474 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 65' ' ' ILE . 80.8 mt -89.7 141.33 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 50.6 tt0 -117.46 115.85 25.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -74.63 142.51 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.797 ' HB3' ' CD ' ' B' ' 10' ' ' GLU . . . -63.48 -8.97 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -86.61 -21.57 26.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.49 3.85 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.42 165.97 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.747 0.308 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 28.1 m-85 -135.27 127.11 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 47' ' ' VAL . 53.9 t -111.56 114.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -100.27 132.4 45.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.07 114.6 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -129.73 -36.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -103.52 99.38 15.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.7 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.81 94.89 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 34.7 t80 -54.32 110.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.29 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -170.63 143.1 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.59 144.99 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.67 6.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.5 m -48.4 150.91 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -83.35 -58.9 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 27.8 p -61.82 -57.62 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -111.46 106.73 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -163.07 141.18 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' B' ' 6' ' ' ILE . 7.9 mp0 -58.98 95.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.752 HD12 ' H ' ' B' ' 6' ' ' ILE . 5.4 mp -35.23 146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.1 m -99.46 116.63 32.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.76 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.91 91.11 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.797 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -38.94 155.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 65' ' ' ILE . 80.4 mt -124.21 162.97 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -89.55 154.32 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.514 HD21 ' C ' ' A' ' 77' ' ' GLY . 30.5 mt -123.08 -179.16 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -44.75 -28.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -119.58 -46.35 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -114.14 151.58 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.78 121.53 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.84 149.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -124.32 152.38 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 -20.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.547 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 1.2 p-90 -82.29 -15.36 53.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.97 131.11 49.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 73.3 m-70 -111.67 -70.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 110.82 -143.05 16.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.454 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.6 t-160 -36.58 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' GLY . 32.2 ttm -159.24 130.92 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -93.66 155.07 17.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.13 -46.82 8.15 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.45 61.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -70.57 -41.65 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.19 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.8 mt-10 -60.35 -40.18 89.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.3 m -70.92 -32.91 69.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -78.7 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -39.71 -52.89 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 63.3 mt-30 -62.74 -43.33 99.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.71 -42.68 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -69.01 -45.55 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.1 42.55 10.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 48' ' ' LEU . 7.4 mm-40 -122.92 120.56 27.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.683 0.754 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.3 Cg_endo -69.69 146.14 59.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 20.0 m95 66.81 40.1 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.5 m -105.08 114.7 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.83 ' CB ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -105.61 150.6 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -147.06 139.28 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 ' HG ' ' A' ' 85' ' ' LEU . 42.9 t -97.08 134.05 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.635 ' HD3' HD11 ' A' ' 32' ' ' LEU . 10.0 ptt85 -145.71 164.97 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' HIS . 12.2 pt-20 -91.56 136.87 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -62.43 153.07 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.71 -32.83 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 m -95.57 -55.27 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.28 122.22 82.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.09 39.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.47 52.79 13.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -143.91 172.07 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 97.8 m-85 -137.66 158.35 44.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 87.0 t -121.5 145.5 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.2 tm? -111.37 112.92 25.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 m -105.52 129.17 53.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 105' ' ' VAL . 3.3 t -130.37 140.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.8 tp -97.34 119.5 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.5 p -79.13 156.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 12.5 t0 -81.75 12.4 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -115.25 130.69 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 165.45 30.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.07 -38.14 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.98 -74.0 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 -145.64 4.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 111.66 2.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.79 -27.31 6.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.47 154.55 79.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.727 0.775 . . . . 0.0 110.865 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.76 155.92 64.68 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.6 137.93 44.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -67.9 132.4 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 63' ' ' THR . 59.4 t -97.18 155.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 62' ' ' VAL . 96.6 m -131.33 121.88 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.782 ' CD2' HG21 ' B' ' 6' ' ' ILE . 15.0 m-70 -104.73 123.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 97' ' ' ILE . 10.5 mt -118.22 106.13 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.183 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 0.7 OUTLIER -50.61 129.13 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.45 108.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -73.63 127.64 33.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -118.05 123.06 44.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -119.78 98.33 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.62 -86.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.67 29.97 2.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -129.24 -178.6 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 69.2 m-85 -153.06 145.14 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -152.22 170.85 18.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 m -150.93 112.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.469 ' HA3' HD21 ' B' ' 13' ' ' LEU . . . 74.87 -50.23 2.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.68 30.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 81' ' ' THR . 3.8 pp -86.2 -20.95 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.7 p -101.33 100.33 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.745 ' CD1' HD12 ' A' ' 88' ' ' LEU . 51.3 m-85 -69.63 166.83 18.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.72 -31.94 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 m -166.26 -177.73 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 4.3 mm? -64.07 -36.23 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.2 m -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -34.87 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.745 HD12 ' CD1' ' A' ' 82' ' ' PHE . 5.7 tt -77.77 -36.33 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 18.7 t -74.54 -58.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.19 -41.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.67 -39.22 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' VAL . 25.6 m-85 -85.18 -20.17 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -69.16 -24.76 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.624 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.7 pttm -103.68 -36.57 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 94' ' ' LYS . 17.8 p -93.31 -49.72 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.63 165.73 27.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD13 HD13 ' A' ' 65' ' ' ILE . 64.2 mt -107.42 144.95 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.741 0.305 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 17.4 tt0 -119.64 117.27 27.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' GLY . 15.3 mt-10 -81.21 135.31 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.26 -46.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 m -55.01 -48.66 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 145.66 -15.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 149.68 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 12.9 m-85 -120.76 106.12 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 47' ' ' VAL . 71.7 t -85.78 116.61 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.546 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.5 m-85 -106.67 130.23 54.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -110.8 112.35 24.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -129.95 -31.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.32 102.49 25.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 87.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.8 129.94 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -103.47 -54.2 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 m -171.91 171.49 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.36 73.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -35.0 13.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -164.53 142.12 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -85.59 -69.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.434 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.9 p -68.76 116.64 9.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' B' ' 4' ' ' GLN . 32.5 tp10 -112.96 81.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 3' ' ' GLU . 10.2 mm100 36.54 43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -132.55 82.35 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.782 HG21 ' CD2' ' A' ' 64' ' ' HIS . 3.6 mm -38.01 157.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -92.53 -26.48 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.533 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.15 160.6 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -123.9 104.02 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -71.5 169.19 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -113.24 140.64 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.469 HD21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER -175.09 157.62 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -38.67 -55.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -119.77 90.76 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -72.23 123.63 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 144.9 9.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -54.31 123.85 14.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -110.73 42.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 160.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.2 p-90 -59.38 -47.34 85.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' TRP . 29.9 t80 -35.87 111.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 112' ' ' TYR . 6.4 m-70 -92.25 -54.93 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.56 -141.25 14.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -61.72 127.36 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.9 ttm -173.05 143.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.0 p -107.66 152.15 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.24 -42.51 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.8 79.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 26.3 tp60 -81.23 -30.92 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.72 -64.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG21 ' A' ' 62' ' ' VAL . 15.6 mt-10 -46.38 -39.24 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.5 m -69.7 -61.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 60.6 mt -48.01 -60.08 2.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.602 ' HG ' HD23 ' A' ' 32' ' ' LEU . 17.0 mt -46.76 -66.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -49.49 -29.91 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.18 -44.03 93.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 27' ' ' GLU . 1.3 tmtt? -52.69 -51.13 61.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.73 3.26 64.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.8 mm-40 -103.09 121.4 49.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.721 0.772 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.71 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 m95 58.49 33.96 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -99.19 116.12 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 6.6 p90 -105.2 151.12 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD23 ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -148.99 130.53 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -94.12 138.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.904 ' NH2' HG11 ' A' ' 44' ' ' VAL . 47.0 ptt85 -148.69 161.63 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -71.71 150.4 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.601 ' C ' HD22 ' A' ' 37' ' ' LEU . 2.9 m -70.61 -179.41 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 36' ' ' SER . 4.6 mm? -129.13 -49.5 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -85.84 -29.12 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.98 120.18 45.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.79 13.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 92.35 -45.75 2.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -51.22 -175.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 96.9 m-85 -151.46 160.52 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.904 HG11 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -116.38 125.68 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -95.27 110.12 22.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -107.7 128.95 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -133.48 143.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 27' ' ' GLU . 27.1 tp -98.1 126.77 43.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 60' ' ' LEU . 27.2 p -82.43 172.71 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 16.5 t0 -102.35 32.83 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.669 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.8 mm-40 -143.62 131.57 10.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.15 52.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.51 178.16 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.485 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -73.15 -59.63 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -170.18 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.405 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.6 92.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 48.8 p -128.56 154.24 79.51 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.694 0.759 . . . . 0.0 110.84 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.444 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.78 137.33 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 49' ' ' SER . 79.8 mt -52.8 137.28 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -60.58 141.74 56.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -105.89 161.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.548 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.0 m -135.19 120.37 18.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -103.6 121.95 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.667 HG21 HD11 ' B' ' 11' ' ' LEU . 41.5 mt -118.25 107.53 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 34.9 mttp -56.54 114.98 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -92.37 109.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 41.1 mtm -77.38 125.66 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.7 t -119.02 119.72 35.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -117.74 97.61 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.36 -91.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.9 22.93 3.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.7 OUTLIER -126.56 179.96 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -141.81 148.17 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.4 t -152.7 164.76 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.96 112.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' O ' HD11 ' B' ' 13' ' ' LEU . . . 75.28 -51.78 2.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.78 -173.24 30.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -86.64 -27.76 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LEU . 3.2 mm-40 -35.63 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' LEU . 27.4 p -100.12 102.1 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.811 ' CD1' HD12 ' A' ' 88' ' ' LEU . 43.2 m-85 -70.89 152.19 43.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.33 -44.15 79.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -155.87 160.61 40.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 33' ' ' VAL . 3.1 mt -50.75 -31.05 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -57.63 -41.14 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.8 -51.71 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.811 HD12 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tt -50.23 -37.7 36.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 31' ' ' PHE . 72.4 t -78.17 -42.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.29 -27.62 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.98 -35.29 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' GLY . 23.4 m-85 -86.35 -25.99 25.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.475 ' CD ' HG12 ' A' ' 89' ' ' VAL . 24.5 mtpp -62.88 -20.5 65.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 95' ' ' THR . 26.1 pttt -103.54 -39.99 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 94' ' ' LYS . 48.7 p -95.38 -49.48 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 108.18 165.17 21.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.646 HG21 HD13 ' A' ' 65' ' ' ILE . 96.4 mt -104.36 126.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -102.07 126.36 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' B' ' 11' ' ' LEU . 15.6 mt-10 -84.77 146.27 27.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.21 -31.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 t -76.52 -40.29 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -30.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.22 141.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -118.21 103.96 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG11 ' A' ' 47' ' ' VAL . 22.3 t -86.12 130.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -117.31 131.88 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -110.28 110.07 20.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -128.02 -30.48 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.95 96.2 14.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.3 Cg_endo -69.63 90.19 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 10.4 t80 -48.73 109.05 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.505 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 5.2 m-85 -76.91 160.31 29.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 112' ' ' TYR . 53.0 m -35.68 -50.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 94.53 103.83 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.2 Cg_endo -69.86 2.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.323 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.4 t -80.55 -51.9 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -44.51 125.81 4.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.553 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.8 0.333 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.549 HG22 ' O ' ' B' ' 2' ' ' THR . 18.7 m 47.26 41.36 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -100.59 112.67 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 41.32 40.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -126.82 139.18 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.453 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -63.01 147.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 51.1 m -114.97 135.51 54.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.616 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.79 30.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -87.72 161.78 17.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 65' ' ' ILE . 56.0 mt -128.23 165.46 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -100.77 125.3 47.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 77' ' ' GLY . 10.3 mp -72.31 -176.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -50.24 -50.18 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 pttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -71.3 101.64 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m 48.92 39.09 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 134.38 12.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.442 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -75.17 156.29 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -93.0 -47.72 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.89 -145.43 13.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.3 p-90 -94.19 2.67 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -77.36 129.22 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 13.8 m-70 -94.03 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.78 -71.12 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -131.74 116.88 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 21' ' ' LEU . 22.4 ttp -172.07 134.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.698 ' CB ' HD11 ' A' ' 37' ' ' LEU . 73.4 p -93.76 148.72 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.66 -30.39 3.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.47 -35.03 91.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.446 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -84.83 -29.25 25.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.916 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.634 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -40.65 -43.98 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -66.66 -48.46 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 113' ' ' SER . 16.8 mt -60.5 -58.1 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.57 -51.17 29.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.86 -32.26 73.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -55.9 -51.93 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -62.32 -43.11 99.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.45 27.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.465 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -108.33 116.1 57.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.7 145.36 57.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 18.4 m95 68.3 31.6 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.5 m -97.24 115.08 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -106.12 154.42 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -150.92 128.34 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 85' ' ' LEU . 27.0 t -95.84 133.62 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' NH2' HG11 ' A' ' 44' ' ' VAL . 15.1 ptt-85 -147.05 168.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -81.99 153.78 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 m -82.51 154.3 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 14' ' ' SER . 22.3 mt -90.42 -54.41 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -78.54 -58.95 2.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -69.49 114.9 27.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.8 16.56 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.68 -35.08 2.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.38 178.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -147.4 156.4 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 ' HE1' ' B' ' 8' ' ' PTR . 90.5 t -118.78 129.76 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -102.06 98.28 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.39 140.26 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 105' ' ' VAL . 2.5 t -145.42 136.41 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 62' ' ' VAL . 13.1 tp -92.94 120.58 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.7 p -83.8 147.11 27.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -69.34 -0.99 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -104.31 128.18 27.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.292 . . . . 0.0 112.331 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -83.2 -22.31 33.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -130.38 166.86 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . -63.62 -60.86 6.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.428 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.1 Cg_endo -69.7 178.83 4.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.95 93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 1.8 p -129.54 158.41 73.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.4 40.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.37 136.94 43.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -68.0 139.49 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' GLU . 25.6 t -102.77 160.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.518 ' N ' HG12 ' A' ' 62' ' ' VAL . 47.1 m -134.28 110.94 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 42.3 m-70 -97.43 111.46 23.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.604 HG21 HD11 ' B' ' 11' ' ' LEU . 38.4 mt -108.93 114.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' B' ' 8' ' ' PTR . 53.0 mttt -63.83 111.43 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.51 121.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 32.3 mtm -87.56 125.33 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -119.37 128.33 53.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -131.65 116.81 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.84 -72.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.87 16.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.48 178.28 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' HB3' HD13 ' A' ' 88' ' ' LEU . 88.0 m-85 -138.88 145.82 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 7.0 t -151.38 164.33 36.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.69 112.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.15 -53.47 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.822 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -97.63 -166.92 32.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.49 -24.39 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' LEU . 13.3 mt-10 -35.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' LEU . 14.9 p -100.76 101.57 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 37.3 m-85 -71.46 160.09 33.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.97 -33.53 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 m -167.41 168.57 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 89' ' ' VAL . 9.9 mt -52.93 -41.86 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.664 HG22 ' OE1' ' A' ' 90' ' ' GLU . 10.9 m -51.3 -39.01 55.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -81.93 -51.47 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.9 tt -52.77 -35.1 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 85' ' ' LEU . 45.4 t -83.38 -48.84 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' OE1' HG22 ' A' ' 86' ' ' THR . 17.7 mt-10 -48.4 -45.7 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 48.3 t-80 -58.1 -33.26 68.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' GLY . 21.4 m-85 -85.28 -26.86 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -61.07 -23.32 65.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 91' ' ' HIS . 12.8 pttt -103.63 -46.44 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -86.62 -47.97 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.04 171.36 27.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' ' 65' ' ' ILE . 92.9 mt -108.03 134.09 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.25 118.74 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.68 147.33 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.95 -35.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.1 p -72.94 -38.52 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.5 -28.03 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.0 155.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -129.5 111.07 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 47' ' ' VAL . 32.4 t -89.51 129.52 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.537 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 15.1 m-85 -116.6 132.16 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -113.31 105.45 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -128.32 -30.17 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.8 mt-30 -106.15 102.78 41.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.8 Cg_endo -69.65 115.99 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' O ' ' NE2' ' A' ' 10' ' ' HIS . 11.4 t80 -88.73 111.37 21.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -120.34 39.33 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.632 ' O ' HD13 ' A' ' 21' ' ' LEU . 45.0 t -123.98 88.18 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.76 -95.38 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.24 33.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 m -45.34 162.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 80.6 p -163.32 172.37 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.491 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -105.01 143.94 32.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.71 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -102.06 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -90.63 107.45 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.578 ' N ' HD13 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -51.21 159.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.4 m -116.33 136.16 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.568 ' HE1' HG22 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.18 134.82 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -82.38 149.24 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 65' ' ' ILE . 19.8 mt -126.18 165.45 18.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -103.06 141.82 35.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.822 HD13 ' HA2' ' A' ' 78' ' ' GLY . 0.4 OUTLIER -112.86 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -50.56 -55.1 17.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -147.19 136.3 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -124.43 118.27 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.18 -49.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -56.66 112.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p 40.35 43.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 38.09 3.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 -96.3 -10.72 27.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.74 135.8 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 113' ' ' SER . 4.3 m-70 -107.02 -67.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.12 -97.04 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.414 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -92.98 123.49 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.7 ttm -170.19 154.07 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.918 ' CB ' HD11 ' A' ' 37' ' ' LEU . 59.2 p -122.05 164.35 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.77 -38.71 37.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.11 60.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -64.99 -42.5 94.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 m -63.88 -55.33 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 68.6 mt -54.21 -67.45 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 32' ' ' LEU . 32.7 mt -39.54 -59.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -58.04 -26.46 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -61.02 -46.66 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -62.14 -49.53 75.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.21 36.77 9.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -120.61 121.09 29.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.72 147.39 63.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.317 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.3 m95 66.24 35.59 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.3 m -100.87 114.98 29.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 107' ' ' LEU . 2.7 p90 -105.27 154.85 19.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -153.61 134.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 85' ' ' LEU . 50.9 t -94.4 135.62 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.669 ' NH2' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -145.13 167.41 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.96 154.38 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -68.69 -179.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 14' ' ' SER . 18.3 mt -119.85 -31.75 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -121.31 -39.06 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 36.7 mm-40 -67.66 112.62 10.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.2 Cg_endo -69.82 123.64 10.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.96 42.84 84.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -136.51 -178.83 5.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.13 162.65 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG11 ' NH2' ' A' ' 34' ' ' ARG . 46.4 t -126.11 129.3 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -93.87 121.37 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 t -110.92 136.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.0 t -142.42 136.29 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -96.43 112.12 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -77.83 156.74 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 23.4 t70 -84.8 19.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 29.3 mt-30 -117.45 103.2 51.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.4 Cg_endo -69.76 153.16 69.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.683 2.255 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -60.7 -49.14 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.492 ' HB3' ' OG ' ' A' ' 58' ' ' SER . . . -91.93 -72.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.05 -59.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.73 -45.13 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.406 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.75 75.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 2.3 p -141.01 154.94 68.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 136.01 31.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.613 2.208 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 125.54 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -53.01 130.55 34.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 19' ' ' GLU . 74.5 t -100.19 154.12 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.811 HG23 ' HB2' ' B' ' 9' ' ' ALA . 15.0 m -127.47 120.92 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -102.94 102.81 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG21 HD21 ' B' ' 11' ' ' LEU . 7.9 mt -99.15 116.27 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.665 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.6 mttt -54.57 133.66 46.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 58.0 t -123.41 105.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -88.24 143.58 26.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -124.74 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.594 ' OE2' HG21 ' A' ' 81' ' ' THR . 3.0 pp20? -149.48 143.21 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 41.95 6.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.41 75.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -123.06 -178.46 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -147.23 148.46 31.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -153.32 168.27 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' LYS . 3.6 m -144.84 111.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' O ' HD13 ' B' ' 13' ' ' LEU . . . 51.87 12.27 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.736 ' CA ' HD22 ' B' ' 13' ' ' LEU . . . -140.96 175.7 22.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.71 -27.77 19.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -49.32 96.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.594 HG21 ' OE2' ' A' ' 70' ' ' GLU . 13.4 p -95.86 100.46 12.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.199 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.644 ' CD1' HD12 ' A' ' 88' ' ' LEU . 54.5 m-85 -67.11 152.95 44.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.47 -34.13 68.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -161.95 164.81 28.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 33' ' ' VAL . 17.1 mt -57.31 -41.3 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -51.08 -33.88 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.24 -50.57 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 82' ' ' PHE . 4.2 tt -54.2 -36.07 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 107' ' ' LEU . 57.9 t -80.18 -45.37 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -53.55 -33.43 54.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -71.02 -40.82 71.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.6 m-85 -77.61 -24.53 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -63.53 -26.22 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 95' ' ' THR . 35.4 pttt -103.65 -37.56 7.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.1 p -90.93 -48.44 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.96 167.17 26.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.537 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 93.3 mt -109.33 141.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -107.66 128.67 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.704 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 26.4 mt-10 -98.14 138.81 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -39.91 -49.56 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -48.19 -39.58 21.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.17 21.26 2.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.47 172.31 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.99 108.88 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.58 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.5 t -87.71 129.32 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -116.49 123.94 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -96.91 102.12 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -118.43 -32.59 4.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -108.95 98.9 32.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.69 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.81 86.61 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.468 ' HB3' ' CB ' ' A' ' 32' ' ' LEU . 12.9 t80 -40.64 122.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -96.85 160.29 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' A' ' 10' ' ' HIS . 15.6 t -78.46 -53.38 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.2 -167.18 37.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.29 2.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -65.61 86.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.2 m -131.82 176.42 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -47.48 158.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.8 102.77 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.37 128.95 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -164.15 112.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.756 HD12 ' H ' ' B' ' 6' ' ' ILE . 4.4 mp -59.65 140.04 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 92.8 m -80.36 122.74 27.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.586 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.811 ' HB2' HG23 ' A' ' 63' ' ' THR . . . -73.17 -47.84 40.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 10.9 tp10 73.02 55.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -46.35 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 27.3 t-20 -124.84 92.22 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.736 HD22 ' CA ' ' A' ' 78' ' ' GLY . 5.4 mp -104.02 150.51 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -56.19 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -52.22 151.27 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -115.83 -14.17 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 73.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -149.35 118.39 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -142.99 163.9 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 112' ' ' TYR . . . -117.69 -163.98 13.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 33' ' ' VAL . 1.9 p-90 -56.26 -13.14 1.92 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.5 116.65 7.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -114.13 33.31 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.67 -97.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 5.6 t60 -112.91 141.92 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.8 ttm -172.42 137.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -96.36 150.85 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.636 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -43.25 -37.91 3.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -37.12 93.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -76.47 -33.83 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.49 -65.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.8 mt-10 -46.76 -38.49 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -70.82 -59.09 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 63.8 mt -53.54 -57.9 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -44.67 -60.56 1.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.2 mt-30 -56.2 -30.48 62.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -63.09 -49.18 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -56.59 -46.34 80.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.15 24.3 55.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -108.96 119.18 49.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.73 148.6 65.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.0 m95 66.48 34.9 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.9 m -100.84 114.2 27.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.0 p90 -107.19 153.34 22.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.87 131.98 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 85' ' ' LEU . 21.2 t -93.75 138.31 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' HD11 ' A' ' 32' ' ' LEU . 43.5 ptt85 -150.04 158.19 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.19 143.67 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' HD22 ' A' ' 37' ' ' LEU . 4.4 m -64.92 -179.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD22 ' C ' ' A' ' 36' ' ' SER . 4.5 mm? -121.19 -49.88 2.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.6 p -98.24 -39.64 8.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.77 124.72 91.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.78 143.69 51.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.28 58.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.91 177.65 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -142.63 160.46 40.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.659 HG13 ' HE1' ' B' ' 8' ' ' PTR . 47.2 t -121.99 126.73 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -94.57 120.85 35.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -116.06 119.42 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.2 t -127.23 136.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -87.94 123.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -82.44 149.36 27.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 5.11 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -108.66 131.62 21.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.674 0.75 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -79.23 -32.59 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.25 -52.86 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 173.74 -145.56 8.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 54.3 Cg_endo -69.75 108.85 2.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.8 -8.4 21.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.3 p -94.14 152.93 40.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.1 Cg_endo -69.77 126.29 13.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 139.88 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -70.65 151.44 44.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 63' ' ' THR . 59.9 t -112.84 163.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.614 ' N ' HG12 ' A' ' 62' ' ' VAL . 54.8 m -134.19 119.82 19.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.63 109.3 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 97' ' ' ILE . 56.1 mt -105.97 102.78 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' B' ' 8' ' ' PTR . 25.8 mttp -48.37 107.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 91.6 t -86.92 108.2 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.7 mtm -78.33 139.04 38.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.5 t -121.42 91.04 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' GLY . 39.3 mm-40 -61.25 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.71 -53.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.04 25.87 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -135.66 178.36 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -133.2 140.8 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.9 t -145.98 154.01 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.1 m -131.9 113.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.609 ' O ' HD22 ' B' ' 13' ' ' LEU . . . 32.65 54.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . . . 177.16 169.32 38.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.97 -24.05 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -51.49 105.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -113.46 105.65 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' HD1' HD12 ' A' ' 88' ' ' LEU . 14.0 m-85 -84.23 149.68 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -43.7 90.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.9 m -147.81 166.63 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 33' ' ' VAL . 20.8 mt -56.54 -35.42 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -58.56 -32.03 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.68 -34.22 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.623 HD12 ' HD1' ' A' ' 82' ' ' PHE . 6.5 tt -68.9 -37.2 78.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 31' ' ' PHE . 69.6 t -76.84 -48.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -56.86 -40.77 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -60.54 -39.26 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 23.5 m-85 -80.41 -29.14 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -59.69 -21.7 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.4 OUTLIER -103.81 -47.97 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.5 p -86.04 -49.86 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 107.59 177.26 22.47 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 65' ' ' ILE . 76.6 mt -115.29 136.63 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 15.9 tt0 -110.08 109.62 20.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 11' ' ' LEU . 25.6 mt-10 -66.79 143.1 57.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.01 -34.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -40.59 60.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . 147.39 -38.22 1.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' GLY . . . -34.17 149.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 21.3 m-85 -123.35 114.25 19.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 ' CG1' HG11 ' A' ' 47' ' ' VAL . 60.8 t -94.84 134.29 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -120.62 123.75 43.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -98.06 110.25 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -126.66 -34.75 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -107.44 95.16 13.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.82 97.92 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.339 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 28.4 t80 -64.69 107.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' HB3' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -107.04 159.05 16.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -51.11 119.68 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 178.67 144.58 5.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.3 32.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.9 p -109.84 -13.08 14.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.6 p -85.63 133.48 34.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.553 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.825 0.345 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 65.5 m -103.77 138.04 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.77 127.78 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -112.53 176.69 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 6' ' ' ILE . 13.1 pt-20 39.79 45.31 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD13 ' HA3' ' A' ' 15' ' ' GLY . 17.9 mt -36.24 147.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 91.8 m -99.96 111.6 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.659 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 63' ' ' THR . . . -102.31 88.53 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.06 158.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' GLU . 31.3 mt -112.8 160.88 17.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -79.5 146.03 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.627 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -168.16 148.87 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 15' ' ' LYS . 1.2 pp0? -38.85 -45.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' N ' ' OE1' ' B' ' 14' ' ' GLN . 56.2 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -160.85 114.6 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.58 98.23 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 105.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -53.51 156.53 2.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -144.5 145.2 31.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.56 -131.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -93.51 -5.78 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -72.28 123.61 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.496 ' ND1' ' CE ' ' A' ' 13' ' ' MET . 6.3 m-70 -91.23 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.89 -63.46 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -129.47 117.86 21.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 ttm -173.12 138.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 90.0 p -109.32 152.4 25.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -38.1 -46.39 1.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.09 -37.4 91.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' SER . 32.6 tt0 -76.43 -35.44 58.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.948 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.25 -65.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' HG21 ' A' ' 62' ' ' VAL . 17.1 mt-10 -39.22 -33.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -77.52 -48.04 18.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.55 -57.06 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.81 -50.41 63.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 98.1 mt-30 -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.88 82.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -57.52 -50.34 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.8 38.94 9.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 48' ' ' LEU . 11.9 mm-40 -125.35 120.92 24.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.78 148.27 64.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 21.3 m95 66.21 39.65 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.4 m -104.9 114.28 28.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.214 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' HG11 ' A' ' 89' ' ' VAL . 3.3 p90 -105.57 152.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -149.26 129.62 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -93.78 139.43 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -150.47 169.61 21.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.77 150.39 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -67.13 156.75 35.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.7 -37.68 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -96.54 -51.28 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.32 122.79 84.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.46 7.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.76 -42.52 2.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.5 169.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -135.97 162.04 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.694 HG13 ' HE1' ' B' ' 8' ' ' PTR . 42.5 t -125.86 132.78 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.45 120.55 41.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 m -114.32 135.74 53.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 HG12 ' A' ' 105' ' ' VAL . 2.1 t -140.27 134.36 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.3 tp -88.76 118.6 28.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.4 p -83.44 149.58 26.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.59 2.44 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -98.56 120.51 58.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.939 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 159.99 51.38 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.428 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -67.37 -43.43 81.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -124.52 -62.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.044 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 146.24 -59.7 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.493 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.4 Cg_endo -69.83 80.61 0.89 Allowed 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.21 42.97 82.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.0 p -109.98 149.75 40.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 170.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -87.07 136.4 32.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.74 147.48 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 63' ' ' THR . 69.4 t -115.32 160.46 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.534 ' N ' HG12 ' A' ' 62' ' ' VAL . 72.3 m -131.87 119.75 21.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.524 ' CD2' HG21 ' B' ' 6' ' ' ILE . 24.5 m-70 -104.63 106.87 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.609 HD13 HG21 ' A' ' 97' ' ' ILE . 25.5 mt -103.52 119.64 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -63.63 121.26 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.63 104.03 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.9 mtm -72.25 133.56 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.3 t -121.33 103.59 9.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -98.22 97.41 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.34 -88.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.1 27.51 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.79 172.59 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CD2' HD22 ' A' ' 85' ' ' LEU . 96.2 m-85 -134.5 139.09 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 81' ' ' THR . 14.7 t -141.49 154.47 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.8 m -134.32 115.13 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' C ' ' HG ' ' B' ' 13' ' ' LEU . . . 33.59 53.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.529 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 13' ' ' LEU . . . 170.65 -177.63 43.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 81' ' ' THR . 3.3 pp -80.18 -28.86 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -40.01 95.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' LEU . 3.7 p -110.27 100.44 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 15.8 m-85 -82.63 160.62 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.42 -38.99 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -151.19 168.12 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -57.87 -34.65 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 m -54.57 -34.92 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -90.49 -43.4 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -58.61 -36.18 73.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.691 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.1 t -82.81 -50.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.33 -29.92 25.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -73.75 -34.22 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLY . 28.8 m-85 -85.18 -24.18 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.45 -23.34 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.7 pttm -103.91 -40.19 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 94' ' ' LYS . 62.6 p -91.87 -49.09 6.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.9 161.86 26.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG21 HD13 ' A' ' 65' ' ' ILE . 94.6 mt -102.02 126.47 56.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 tt0 -101.56 114.23 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.23 145.61 47.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -42.27 -38.84 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -67.84 -41.4 83.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.08 -30.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -37.77 153.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 11.9 m-85 -125.25 103.83 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.499 HG12 HG11 ' A' ' 47' ' ' VAL . 10.9 t -84.73 122.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.3 m-85 -109.85 127.48 54.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD22 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -106.77 109.12 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -127.07 -33.95 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -104.57 95.97 9.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.2 Cg_endo -69.75 95.63 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -55.31 119.34 5.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -86.63 160.65 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -61.53 150.35 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.65 139.54 3.75 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.15 58.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 p -68.8 156.55 38.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -117.89 163.84 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -149.92 135.96 18.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -45.55 103.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -131.73 177.41 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.44 139.17 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 64' ' ' HIS . 3.0 mm -97.37 165.26 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.439 ' H ' HG22 ' B' ' 6' ' ' ILE . 2.9 m -84.39 -29.17 26.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.209 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.694 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.86 114.71 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.19 136.12 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 76' ' ' VAL . 18.1 mt -94.78 -178.64 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.46 123.56 48.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.455 ' HG ' ' C ' ' A' ' 77' ' ' GLY . 8.5 mp -90.72 149.39 22.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.463 ' CG ' ' HD3' ' B' ' 15' ' ' LYS . 0.6 OUTLIER -34.27 -41.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -69.71 121.14 16.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -44.45 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.27 175.01 18.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -95.87 168.77 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -48.71 144.18 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -35.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -107.78 25.09 11.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -98.06 146.38 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' HIS . 9.3 m-70 -131.37 41.06 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . 35.34 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 4.3 t-80 -117.08 142.67 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.785 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.1 ttm -173.74 144.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 37' ' ' LEU . 88.7 p -103.23 155.73 18.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.9 13.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.42 -27.19 66.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -82.44 -37.44 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -66.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 62' ' ' VAL . 29.1 mt-10 -40.11 -33.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -82.85 -43.37 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 36.1 mt -62.55 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.061 HD11 HD23 ' A' ' 32' ' ' LEU . 5.5 mp -43.62 -49.88 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 99.1 mt-30 -59.93 -30.0 68.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -64.5 -47.28 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -61.7 -46.82 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.45 22.35 47.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' HD23 ' A' ' 48' ' ' LEU . 47.1 mm-40 -102.19 118.49 58.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.78 149.81 67.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.2 m95 63.29 37.85 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -100.94 113.61 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.853 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.3 p90 -105.45 150.06 25.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.061 HD23 HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -145.92 135.28 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 85' ' ' LEU . 84.1 t -98.29 130.5 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.4 ptt85 -144.48 -176.32 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.01 160.38 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -96.09 165.21 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD11 ' CB ' ' A' ' 14' ' ' SER . 41.3 mt -112.58 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 t -53.88 -40.65 66.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -104.98 102.71 37.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.1 6.1 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.28 -37.62 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.27 179.61 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.387 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.11 175.19 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 8' ' ' PTR . 47.4 t -132.21 136.36 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.23 103.02 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.02 137.49 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG11 HG12 ' A' ' 105' ' ' VAL . 2.2 t -143.3 141.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.0 tp -94.01 132.35 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 60' ' ' LEU . 76.5 p -88.36 171.22 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.3 OUTLIER -98.88 29.1 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.573 ' N ' HD22 ' A' ' 60' ' ' LEU . 27.2 mt-30 -139.89 134.63 16.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.06 56.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -67.01 -29.37 69.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' C ' ' HD2' ' A' ' 56' ' ' PRO . . . -121.64 -55.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 131.36 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 54.5 Cg_endo -69.72 80.32 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.26 52.76 50.75 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -120.27 152.27 54.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.66 144.87 55.97 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' GLN . 13.3 mt -61.14 136.74 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.06 145.0 37.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 19' ' ' GLU . 42.3 t -110.78 157.12 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 62' ' ' VAL . 15.3 m -126.34 120.51 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' B' ' 6' ' ' ILE . 61.4 m-70 -105.45 104.17 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' B' ' 11' ' ' LEU . 6.4 mt -101.79 108.35 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.517 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 36.8 mttt -53.17 122.95 10.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 83.7 t -101.56 120.03 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.7 mtm -98.7 124.67 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 t -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -93.48 50.98 1.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.3 -23.79 8.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' NE ' ' O ' ' A' ' 81' ' ' THR . 22.3 mtp180 -127.52 176.14 7.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -138.61 148.01 43.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -151.08 167.35 27.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 76' ' ' VAL . 22.9 m -150.88 112.72 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.673 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 75.08 -51.72 2.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.781 ' HA2' HD13 ' B' ' 13' ' ' LEU . . . -97.65 -168.28 32.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -93.44 -23.37 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -40.35 96.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' NE ' ' A' ' 73' ' ' ARG . 4.3 p -99.37 102.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 38.1 m-85 -71.4 148.57 46.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.85 -33.83 18.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -163.56 175.34 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 33' ' ' VAL . 9.3 mt -64.57 -35.21 80.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 57.0 m -57.41 -30.49 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.84 -48.06 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 4.9 tt -56.38 -38.29 71.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -78.39 -51.15 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 86' ' ' THR . 4.5 mm-40 -53.1 -30.23 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.88 -37.42 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' GLY . 26.6 m-85 -85.62 -24.63 27.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -60.61 -26.22 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -103.73 -39.59 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.6 p -89.3 -49.76 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.37 162.27 24.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD21 ' B' ' 11' ' ' LEU . 41.2 mt -108.68 127.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -99.54 130.71 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.762 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 14.2 mt-10 -89.76 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 10' ' ' GLU . . . -33.77 -47.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -62.42 -45.03 94.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 147.06 -29.5 1.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.6 139.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.057 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.24 106.22 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG12 HG11 ' A' ' 47' ' ' VAL . 2.7 t -87.83 123.15 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -112.45 128.89 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.853 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -108.62 114.18 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -130.4 -33.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -102.63 98.28 10.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.75 82.73 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' PRO . 2.0 t80 -34.67 112.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -94.91 45.52 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 112' ' ' TYR . 4.5 t 34.5 43.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.31 142.86 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -176.19 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.5 t -99.21 -55.19 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.3 m 51.69 41.14 28.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -141.02 150.22 42.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -74.14 172.37 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -101.62 88.65 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -157.49 117.58 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.714 HD12 ' H ' ' B' ' 6' ' ' ILE . 3.5 mp -75.23 144.65 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.4 m -104.98 115.96 31.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.655 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.762 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -108.32 127.15 53.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.868 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.0 mm-40 -93.7 75.4 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.702 HD21 HG21 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -44.53 169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -113.61 79.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.791 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -48.04 173.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.974 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -43.54 -27.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.401 ' HG2' HD12 ' B' ' 13' ' ' LEU . 29.5 pttt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -71.26 143.32 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -155.01 159.09 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.99 -76.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t 69.21 37.69 2.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -126.1 140.02 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -130.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 1.1 p-90 -102.83 -10.33 19.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.47 141.7 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -120.81 -71.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLU . . . 148.31 -146.73 16.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.8 m-70 -72.63 74.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 21' ' ' LEU . 29.5 ttm -97.01 111.16 23.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.19 147.65 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.95 -37.6 5.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.11 85.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 HE21 HD11 ' A' ' 21' ' ' LEU . 43.6 tt0 -81.19 -40.35 24.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -66.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -46.24 -37.2 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.8 m -70.64 -48.92 52.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 13' ' ' MET . 21.0 mt -59.45 -71.0 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 46' ' ' SER . 22.9 mt -40.12 -42.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -37.99 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -54.7 -47.82 73.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.52 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.69 41.41 11.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -121.06 120.57 29.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.729 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 145.28 56.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.8 m95 67.87 37.46 3.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -102.93 112.93 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' HG11 ' A' ' 89' ' ' VAL . 2.9 p90 -105.99 152.02 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -150.71 140.74 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 94.6 t -93.87 129.98 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -131.73 -177.3 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 3.9 mm-40 -122.81 113.79 19.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' GLU . 8.5 t -35.82 147.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.1 -43.27 8.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -74.97 -66.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 69.2 mm-40 -78.36 112.46 26.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.4 Cg_endo -69.88 129.55 17.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.68 -35.94 4.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.98 141.53 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.08 162.96 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG22 ' HE1' ' B' ' 8' ' ' PTR . 53.0 t -131.36 133.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -103.12 114.62 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 22' ' ' LEU . 5.1 m -107.6 127.12 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG11 ' CG1' ' A' ' 105' ' ' VAL . 2.5 t -134.22 133.21 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -90.34 122.57 33.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 91.0 p -82.86 173.01 12.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 8.94 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.15 127.72 26.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 153.56 68.94 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.407 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -31.9 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.96 74.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.08 -160.09 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.28 25.13 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.49 -22.95 23.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.0 p -94.31 154.77 40.33 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 144.73 55.36 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.258 . . . . 0.0 112.371 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -54.69 147.51 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -75.77 139.58 41.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 63' ' ' THR . 71.4 t -105.11 154.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.674 HG23 ' CB ' ' B' ' 9' ' ' ALA . 45.0 m -123.45 118.54 27.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -96.62 99.56 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.984 HG21 HD11 ' B' ' 11' ' ' LEU . 10.2 mt -104.07 96.39 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 76' ' ' VAL . 59.1 t -105.24 122.67 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -85.63 122.4 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -88.01 126.66 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -116.06 71.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.45 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.53 8.78 21.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -124.7 175.93 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD22 ' A' ' 85' ' ' LEU . 84.7 m-85 -144.51 138.93 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -146.45 164.95 30.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -150.19 112.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 75.0 -52.83 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.19 -171.21 30.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 pp -87.79 -26.19 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LEU . 8.8 mt-10 -34.15 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.0 p -100.21 101.05 11.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.837 ' CD1' HD12 ' A' ' 88' ' ' LEU . 40.1 m-85 -74.62 153.03 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -58.96 -37.71 77.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t -161.96 177.05 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.3 mm? -59.17 -35.36 73.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 89.1 m -62.59 -32.4 73.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.06 -43.82 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.837 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.1 tt -66.0 -40.16 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 85' ' ' LEU . 47.5 t -73.32 -53.51 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' THR . 6.9 mm-40 -49.79 -34.51 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.2 -32.68 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' GLY . 19.2 m-85 -86.87 -24.08 25.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.89 -24.27 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -102.65 -39.82 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -93.35 -48.87 6.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 97.14 155.05 30.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.8 mt -90.24 139.97 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 14.7 tt0 -113.62 112.91 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.99 143.82 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -45.18 -38.59 5.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -68.01 -43.15 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.8 -29.3 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.46 151.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 m-85 -125.81 113.1 16.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.585 ' CG1' HG11 ' A' ' 47' ' ' VAL . 43.2 t -91.5 125.22 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -111.89 125.99 54.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.61 HD13 HG13 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -101.03 99.62 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -117.7 -33.03 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.7 mt-30 -106.3 95.79 12.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.475 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 54.1 Cg_endo -69.73 80.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 0.0 112.463 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 110' ' ' PRO . 11.7 t80 -36.31 108.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -76.5 -70.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -125.64 -175.62 3.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -162.08 95.25 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 90.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.3 m -42.84 157.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.8 m -124.45 110.98 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.531 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.43 ' C ' ' HG2' ' B' ' 3' ' ' GLU . 88.3 m -96.06 -49.8 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' C ' ' B' ' 2' ' ' THR . 19.0 pt-20 36.88 50.47 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' B' ' 3' ' ' GLU . 34.0 mt-30 -36.48 -52.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -134.06 155.63 49.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.624 HD12 ' H ' ' B' ' 6' ' ' ILE . 3.8 mp -82.35 139.85 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -84.88 111.9 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.679 ' HE1' HG22 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 63' ' ' THR . . . -109.17 135.98 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.2 150.04 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 65' ' ' ILE . 58.0 mt -123.36 173.66 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -110.33 140.74 44.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 77' ' ' GLY . 10.0 mp -85.36 179.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' B' ' 15' ' ' LYS . 4.9 pp0? -70.61 -48.08 56.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' B' ' 14' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -162.79 142.86 9.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -137.53 164.42 28.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 -176.65 36.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -147.67 135.28 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -54.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.04 55.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.456 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.771 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 2.0 p-90 -71.77 -8.96 57.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -71.98 133.62 45.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.85 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.06 -117.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -78.09 117.58 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 tpp -160.9 144.59 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.646 ' HA ' HD11 ' A' ' 37' ' ' LEU . 12.0 p -114.55 142.5 46.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.53 -36.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.35 -40.87 98.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' SER . 27.4 tp60 -80.19 -32.92 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 62' ' ' VAL . 49.4 mt-10 -42.75 -37.5 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.3 m -71.26 -38.15 71.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.5 mt -71.65 -56.61 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.45 -46.62 63.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -72.21 -23.77 61.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -64.79 -45.8 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -64.9 -47.24 78.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 23.32 40.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' OE1' ' A' ' 109' ' ' GLN . 7.0 mm-40 -104.22 115.34 63.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.705 0.764 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.482 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.9 Cg_endo -69.77 151.15 68.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 23.5 m95 65.19 31.15 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.7 m -98.27 118.18 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.881 ' CB ' HD23 ' A' ' 107' ' ' LEU . 5.2 p90 -105.74 152.33 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.81 134.14 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.771 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 44.4 t -94.8 128.9 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.727 ' NH2' HG11 ' A' ' 44' ' ' VAL . 46.1 ptt85 -141.17 168.71 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.98 149.01 21.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -75.6 163.77 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' A' ' 14' ' ' SER . 5.5 mp -108.23 -53.64 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -79.24 -56.17 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -66.97 122.71 83.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.4 Cg_endo -69.72 153.72 68.78 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.21 45.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -129.85 168.5 16.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -131.84 170.46 14.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.727 HG11 ' NH2' ' A' ' 34' ' ' ARG . 58.6 t -136.34 125.91 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 1.3 tm? -98.55 107.57 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -99.33 138.75 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 105' ' ' VAL . 3.0 t -145.1 135.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.7 tp -86.64 124.0 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 p -82.9 150.84 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -74.63 4.45 6.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -102.26 115.24 64.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -69.52 -38.03 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.07 -52.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.01 -140.95 6.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.28 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.19 -10.98 10.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -97.62 152.29 38.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.752 0.787 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.75 24.01 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 148.21 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.62 147.02 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 19' ' ' GLU . 23.4 t -107.28 155.06 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.423 ' N ' HG12 ' A' ' 62' ' ' VAL . 13.7 m -130.19 111.54 12.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -93.67 102.73 14.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.957 HG21 HD11 ' B' ' 11' ' ' LEU . 11.9 mt -100.12 106.67 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 38.9 mttp -48.48 134.95 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 88.2 t -113.33 108.7 26.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.402 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -78.66 135.56 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.94 118.03 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -145.05 145.11 31.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 43.28 59.55 3.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 45.19 43.16 9.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -144.1 178.49 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 87.8 m-85 -136.12 146.44 46.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 68' ' ' MET . 9.1 t -155.66 162.44 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.7 m -148.34 112.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.799 ' O ' HD13 ' B' ' 13' ' ' LEU . . . 75.23 -53.92 2.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.448 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' B' ' 13' ' ' LEU . . . -94.82 -173.81 37.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' THR . 4.4 pp -90.65 -20.74 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.21 100.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.6 p -99.56 101.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 47.4 m-85 -69.21 159.34 33.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.85 -36.94 80.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -162.8 169.15 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 HG11 ' A' ' 33' ' ' VAL . 13.0 mt -55.55 -37.3 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -58.56 -31.75 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.37 -48.34 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 2.8 tt -57.83 -33.61 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.67 HG11 ' CE2' ' A' ' 31' ' ' PHE . 92.4 t -82.97 -51.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -47.89 -50.93 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 4.0 t60 -51.47 -36.93 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 26.8 m-85 -80.88 -28.78 35.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -58.28 -25.3 61.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG3' HG23 ' A' ' 95' ' ' THR . 27.6 pttt -101.95 -47.62 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 94' ' ' LYS . 31.7 p -84.75 -48.23 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 103.59 170.77 25.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.66 ' CG2' HD13 ' B' ' 11' ' ' LEU . 77.7 mt -110.85 122.88 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -95.92 120.27 35.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -75.68 142.55 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.03 -32.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -71.56 -43.75 65.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -23.9 1.45 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.51 159.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 14.5 m-85 -133.42 104.42 6.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 47' ' ' VAL . 12.1 t -84.03 138.63 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 12.8 m-85 -124.3 129.75 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.881 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -109.66 109.37 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -126.69 -29.5 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -104.97 101.0 27.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.9 Cg_endo -69.67 91.07 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.88 118.66 3.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -97.19 161.38 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.0 t -69.61 169.11 13.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -107.22 159.46 14.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.58 23.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.334 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -161.99 151.56 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -74.0 149.92 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 2' ' ' THR . 8.9 t -116.28 121.58 42.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -101.09 128.01 47.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -51.93 -49.33 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.89 173.96 11.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.636 ' N ' HD13 ' B' ' 6' ' ' ILE . 1.4 mm -66.76 147.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 77.5 m -87.15 115.13 24.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.686 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.06 115.86 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' C ' HD23 ' B' ' 11' ' ' LEU . 9.2 tp10 -61.13 146.35 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.957 HD11 HG21 ' A' ' 65' ' ' ILE . 12.5 mt -113.48 172.73 6.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -100.52 127.67 46.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.799 HD13 ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -114.31 -175.86 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.43 77.16 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 pttt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -115.8 121.31 42.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -171.2 120.94 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.85 76.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -100.5 150.13 22.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 p -115.13 172.64 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.14 71.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -93.36 -26.52 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.937 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -53.61 132.95 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -98.36 -73.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 -96.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.89 111.58 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.4 ttm -161.96 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.59 ' CB ' HD11 ' A' ' 37' ' ' LEU . 26.2 p -121.52 143.05 49.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -40.78 -26.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -72.72 -38.69 56.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.62 -34.07 40.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 mt-10 -40.02 -42.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -70.61 -42.74 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 70.0 mt -63.5 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.5 mt -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -52.48 -30.07 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -57.88 -48.68 79.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -63.26 -45.27 92.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.24 25.49 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.72 119.2 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.72 . . . . 0.0 110.831 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.6 Cg_endo -69.73 147.21 62.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.0 m95 66.24 37.27 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.4 m -102.57 116.51 32.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.903 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.7 p90 -106.16 152.23 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -147.93 129.22 14.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 85' ' ' LEU . 28.0 t -95.04 135.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 5.2 ptt-85 -143.66 179.26 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.0 mm-40 -100.84 130.6 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 t -66.43 140.68 58.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' SER . 12.2 mt -92.37 -22.98 19.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -93.22 -71.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.77 136.49 92.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.1 Cg_endo -69.76 152.83 69.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.66 35.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' PRO . 1.5 m-20 -113.09 159.23 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.791 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 35' ' ' GLU . 33.7 m-85 -127.31 158.34 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG13 ' HE1' ' B' ' 8' ' ' PTR . 79.7 t -123.02 119.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -92.43 104.45 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 m -102.28 121.72 42.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 105' ' ' VAL . 2.0 t -124.77 136.91 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' HG22 ' A' ' 62' ' ' VAL . 14.8 tp -90.24 124.0 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 145.98 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -69.92 -0.61 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -100.37 124.3 43.39 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 158.57 56.41 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.82 -35.24 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.18 83.82 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.0 -156.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.57 54.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.06 -22.71 36.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.7 p -86.61 151.37 52.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.737 0.779 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.09 53.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 138.86 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -70.92 145.99 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 48' ' ' LEU . 88.7 t -110.79 157.9 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' HG12 ' A' ' 62' ' ' VAL . 21.4 m -130.29 118.1 20.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' B' ' 6' ' ' ILE . 65.1 m-70 -96.62 104.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.54 HG23 HD21 ' B' ' 11' ' ' LEU . 26.2 mt -103.14 108.34 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' O ' HG12 ' A' ' 76' ' ' VAL . 16.8 mttp -52.8 127.28 22.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 76.3 t -110.03 105.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.466 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 45.4 mtm -74.42 123.69 25.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 36.0 t -121.67 100.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 72' ' ' GLY . 5.0 mm-40 -107.3 150.16 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 41.89 -90.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 70' ' ' GLU . . . -144.9 33.64 1.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.65 -178.94 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 85' ' ' LEU . 93.5 m-85 -141.17 146.44 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 68' ' ' MET . 6.3 t -152.47 161.17 42.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -145.97 111.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.956 ' C ' HD22 ' B' ' 13' ' ' LEU . . . 74.93 -55.74 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.63 -166.04 34.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 81' ' ' THR . 3.9 pp -92.98 -19.44 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 0.0 110.935 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.96 97.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 79' ' ' LEU . 25.1 p -99.53 103.05 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 88' ' ' LEU . 27.5 m-85 -76.91 151.1 35.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -50.36 -45.22 55.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -155.05 170.4 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.644 HD13 HG11 ' A' ' 33' ' ' VAL . 12.1 mt -55.57 -41.85 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.5 m -54.92 -31.08 59.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -85.37 -48.9 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 82' ' ' PHE . 3.5 tt -57.24 -38.75 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.725 HG11 ' CE2' ' A' ' 31' ' ' PHE . 58.2 t -77.18 -46.87 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.17 -33.33 65.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.82 -39.82 95.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' HG12 ' A' ' 97' ' ' ILE . 46.9 m-85 -82.94 -24.58 32.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -62.05 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -101.25 -39.55 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.0 p -89.84 -49.25 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 102.09 144.96 15.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.748 ' CG2' HD11 ' B' ' 11' ' ' LEU . 26.3 mt -83.34 164.95 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.1 tt0 -147.11 110.55 4.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' B' ' 11' ' ' LEU . 20.6 mt-10 -67.73 140.84 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -44.96 -40.04 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -36.81 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.18 7.53 3.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 164.56 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 11.6 m-85 -127.97 125.6 39.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 t -111.67 115.68 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 6.9 m-85 -101.71 134.67 44.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.903 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -113.97 114.85 26.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 31.8 mtp180 -128.27 -33.27 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.5 mt-30 -100.99 98.77 9.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.682 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.71 91.41 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.324 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -47.1 114.43 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -84.36 171.07 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -94.74 133.53 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -164.5 143.71 8.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -174.12 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -124.35 157.66 34.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -66.61 86.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.486 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 33.9 m -73.89 119.03 17.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -169.26 129.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 51.35 44.38 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.08 146.64 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.593 ' N ' HD13 ' B' ' 6' ' ' ILE . 1.5 mm -90.61 162.27 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -88.42 -27.35 21.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.555 ' HE1' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.46 121.12 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -75.11 138.12 41.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.1 mm? -92.95 -179.2 5.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.2 114.62 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.956 HD22 ' C ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -112.9 -76.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' B' ' 15' ' ' LYS . 24.8 mt-30 -130.86 11.49 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -101.05 104.55 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -88.75 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.39 -87.78 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -73.88 160.88 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -165.39 136.14 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.01 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -90.31 13.24 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -85.43 123.29 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.9 m-70 -108.09 89.7 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' HIS . . . -34.38 -90.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -93.58 125.07 37.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 21' ' ' LEU . 2.3 ttm -171.51 122.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HA ' HD21 ' A' ' 37' ' ' LEU . 6.7 p -92.06 154.03 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.46 -30.31 19.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.06 -30.61 69.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -80.36 -48.08 13.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -49.63 -56.46 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.5 mt-10 -50.83 -31.92 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -79.09 -44.1 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 114' ' ' GLY . 30.9 mt -67.5 -60.89 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 11.0 mt -41.09 -53.2 3.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.44 -36.36 78.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -47.06 -49.86 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' OE2' ' A' ' 27' ' ' GLU . 20.9 ttpt -68.39 -41.29 80.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.92 0.35 85.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.05 119.43 77.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.74 149.6 67.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.9 m95 67.06 29.77 7.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 111' ' ' TYR . 73.7 m -95.65 113.66 25.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.2 p90 -105.21 159.02 16.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -159.53 135.02 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.5 t -97.22 144.5 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.696 ' NH2' HG11 ' A' ' 44' ' ' VAL . 10.8 ptt180 -144.23 -175.13 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -118.84 140.28 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -71.19 148.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -111.28 -21.05 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -105.71 -28.02 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -101.79 106.87 49.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.46 5.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.57 31.93 23.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.35 156.42 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.63 166.2 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG11 ' NH2' ' A' ' 34' ' ' ARG . 25.6 t -128.4 146.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -116.43 123.19 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.483 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -110.33 132.11 54.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG11 ' CG1' ' A' ' 105' ' ' VAL . 3.1 t -141.58 128.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -87.33 117.68 26.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.7 p -80.48 159.18 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 7.95 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.08 116.81 60.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.737 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 148.51 65.67 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -56.06 -43.85 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.14 -73.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -157.42 -144.0 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.425 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 54.5 Cg_endo -69.72 93.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.31 -27.06 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -77.63 153.67 81.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.715 0.769 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 138.6 37.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 141.47 53.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -69.83 140.69 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 19' ' ' GLU . 39.4 t -105.19 161.43 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.552 ' N ' HG12 ' A' ' 62' ' ' VAL . 60.3 m -132.77 123.91 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -105.93 103.72 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.914 HG21 HD11 ' B' ' 11' ' ' LEU . 55.8 mt -100.87 111.73 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HG2' ' CE2' ' B' ' 8' ' ' PTR . 38.3 mttt -57.28 116.0 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.94 114.78 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 39.5 mtm -80.46 146.42 31.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.7 t -142.19 122.58 14.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -121.95 112.22 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.69 -75.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.88 12.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -110.87 -178.67 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 85' ' ' LEU . 79.1 m-85 -146.68 146.6 30.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -155.39 172.12 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 76' ' ' VAL . 27.8 m -140.36 112.88 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.87 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 41.36 22.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -144.38 -177.82 19.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -92.04 -27.24 17.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -50.57 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.4 p -99.48 101.34 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.783 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.9 m-85 -72.48 159.26 34.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.07 -40.38 87.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -156.2 166.58 33.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.9 mm? -55.01 -34.42 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.9 m -59.71 -28.65 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -89.42 -49.93 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.783 HD12 ' CD1' ' A' ' 82' ' ' PHE . 7.3 tt -59.83 -40.19 87.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 31' ' ' PHE . 59.8 t -72.12 -50.44 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -50.9 -33.56 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -69.12 -38.28 78.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 96' ' ' GLY . 36.9 m-85 -82.05 -26.06 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HD2' HG12 ' A' ' 89' ' ' VAL . 19.9 mtpp -61.1 -24.44 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -103.2 -42.68 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.5 p -88.01 -47.57 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 101.95 155.12 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 65' ' ' ILE . 97.3 mt -94.48 129.76 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 tt0 -97.7 128.36 44.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' GLY . 27.0 mt-10 -90.35 144.68 25.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -37.77 -46.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.4 p -62.09 -38.02 87.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 136.27 -20.13 3.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.67 158.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 98' ' ' GLU . 16.2 m-85 -128.59 104.07 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.699 ' CG1' HG11 ' A' ' 47' ' ' VAL . 25.3 t -82.87 118.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 14.8 m-85 -102.77 126.55 49.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.852 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -107.38 108.97 20.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 28.1 mtp180 -125.13 -33.56 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -100.95 99.09 9.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 53.4 Cg_endo -69.79 89.36 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 114' ' ' GLY . 2.4 t80 -42.88 140.58 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 110' ' ' PRO . 93.9 m-85 -128.92 92.07 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' TYR . 67.4 p 34.79 49.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.795 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -36.57 100.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.403 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.7 Cg_endo -69.8 -2.12 9.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 m 67.72 54.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.0 t -119.85 21.06 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.416 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.338 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 m -88.76 139.81 30.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -88.95 54.56 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -80.0 126.19 30.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.26 127.26 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.51 160.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.192 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.0 m -121.93 136.01 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.691 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.01 97.73 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.427 ' O ' HD23 ' B' ' 11' ' ' LEU . 9.9 tp10 -42.13 157.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.914 HD11 HG21 ' A' ' 65' ' ' ILE . 45.3 mt -125.99 168.73 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -129.31 107.52 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.87 HD21 ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.36 -175.84 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' B' ' 13' ' ' LEU . 3.7 pm0 -44.48 -40.8 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' B' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -47.72 147.93 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -78.48 -42.35 29.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.46 -53.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m 45.37 41.04 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -103.9 156.36 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 -54.04 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -45.18 -40.76 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' TRP . 4.7 t80 -37.23 122.05 0.86 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' NE2' ' CD2' ' A' ' 111' ' ' TYR . 11.5 m-70 -105.06 26.49 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.34 -97.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -116.53 145.25 43.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.519 ' HE3' ' HB3' ' A' ' 10' ' ' HIS . 43.6 ttm -174.71 155.31 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' GLY . 95.2 p -114.41 140.21 48.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.34 -27.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.55 -39.29 30.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . 28.0 tp60 -72.61 -33.08 66.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -62.43 -56.08 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -47.83 -50.66 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 12.8 mt -57.24 -66.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -38.5 -57.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -31.97 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -52.54 -49.73 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -68.78 -44.6 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.12 33.25 26.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -109.49 119.77 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.7 Cg_endo -69.75 147.75 63.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.9 m95 65.8 36.28 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -102.02 117.63 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.816 ' CB ' HD23 ' A' ' 107' ' ' LEU . 3.4 p90 -105.62 153.56 21.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -151.3 131.91 13.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 85' ' ' LEU . 59.8 t -97.29 133.22 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.579 ' NH2' HG11 ' A' ' 44' ' ' VAL . 44.8 ptt85 -137.44 160.18 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 45.3 mt-10 -84.48 141.36 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -55.66 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.0 mt -125.98 -35.64 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -117.29 -33.31 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -68.19 139.42 92.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.7 Cg_endo -69.73 126.64 13.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.29 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.3 57.22 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.3 m-20 -124.68 -178.83 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 35.0 m-85 -152.92 165.79 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG11 ' NH2' ' A' ' 34' ' ' ARG . 91.4 t -127.01 149.22 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -113.54 101.43 9.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -97.02 140.33 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 105' ' ' VAL . 3.4 t -143.39 141.96 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 62' ' ' VAL . 13.3 tp -97.96 121.73 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -83.91 154.43 23.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 t70 -83.2 14.45 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.02 123.83 31.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.99 67.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.614 2.209 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -70.52 -44.02 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.03 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.65 -161.15 0.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.561 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 142.93 48.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.59 -37.27 3.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.558 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p -77.41 153.92 81.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 147.26 63.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.68 2.253 . . . . 0.0 112.384 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 137.08 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -69.74 137.18 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 19' ' ' GLU . 57.1 t -100.08 157.34 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 62' ' ' VAL . 18.4 m -130.59 114.43 15.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -97.87 117.41 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.919 HG21 HD11 ' B' ' 11' ' ' LEU . 16.6 mt -117.39 106.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HD2' ' CB ' ' B' ' 8' ' ' PTR . 0.6 OUTLIER -48.42 145.96 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.2 t -130.74 100.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.6 mtm -75.5 136.48 40.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 74' ' ' TYR . 36.1 t -128.09 111.82 13.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -107.25 116.03 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.36 -78.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.69 11.73 1.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -109.37 -178.72 3.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.318 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 69' ' ' CYS . 86.6 m-85 -148.77 142.67 25.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -149.17 174.46 12.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLY . 10.6 m -136.51 112.79 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' O ' HD21 ' B' ' 13' ' ' LEU . . . 38.12 25.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -150.43 -171.71 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 pp -89.57 -32.12 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 79' ' ' LEU . 28.9 mt-10 -41.49 97.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 4.9 p -108.54 100.69 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 88' ' ' LEU . 39.2 m-85 -72.73 159.74 33.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.21 -36.17 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.8 m -160.65 159.2 30.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 33' ' ' VAL . 12.0 mt -50.09 -40.04 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.5 m -53.73 -32.43 52.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.99 -47.58 8.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 82' ' ' PHE . 6.1 tt -56.94 -35.88 69.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 31' ' ' PHE . 75.9 t -81.6 -48.96 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.67 -18.63 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -80.64 -36.53 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' GLY . 15.8 m-85 -85.35 -21.07 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -64.29 -24.13 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -103.62 -41.29 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.9 p -89.3 -49.53 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 104.39 157.07 23.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.72 ' CG2' HD22 ' B' ' 11' ' ' LEU . 92.0 mt -98.22 127.28 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.558 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 7.0 tp10 -101.06 124.61 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 20.1 mt-10 -78.62 141.25 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -43.81 -30.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 t -78.21 -42.34 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.9 -30.38 1.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . . . -41.54 154.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CZ ' ' OE1' ' A' ' 98' ' ' GLU . 14.8 m-85 -127.22 108.68 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 47' ' ' VAL . 13.7 t -90.48 124.13 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.99 125.44 54.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.816 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -106.07 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -124.39 -29.24 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.6 mt-30 -106.69 97.06 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.539 0.685 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.3 Cg_endo -69.69 88.71 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CD2' ' NE2' ' A' ' 10' ' ' HIS . 6.3 t80 -46.49 104.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 1.5 m-85 -77.79 158.99 29.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -78.25 97.55 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -95.33 113.86 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.78 12.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -75.95 88.1 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.3 t -77.6 149.34 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.9 t -169.83 160.74 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -124.62 172.92 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -147.66 123.35 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -66.42 88.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.625 ' O ' HD12 ' B' ' 6' ' ' ILE . 2.8 pp -64.53 137.5 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 8' ' ' PTR . 96.8 m -119.85 155.49 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.499 ' CB ' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 168.04 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -115.2 167.47 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.919 HD11 HG21 ' A' ' 65' ' ' ILE . 10.0 mt -135.85 171.81 13.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' B' ' 15' ' ' LYS . 7.2 m120 -107.67 95.59 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.645 HD22 ' H ' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -65.74 -71.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' B' ' 14' ' ' GLN . 7.5 mp0 -80.87 -39.71 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.434 ' HB2' ' ND2' ' B' ' 12' ' ' ASN . 12.9 mmmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.63 88.28 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -96.9 39.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -139.06 0.67 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.6 m -130.21 110.87 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.1 t -35.6 -52.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.49 -124.21 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.35 8.9 41.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -88.16 127.91 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -95.34 -75.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.31 -124.93 1.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -91.94 112.41 24.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' NH1' ' A' ' 34' ' ' ARG . 5.3 ttp -167.19 146.88 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.836 ' HB3' HD11 ' A' ' 37' ' ' LEU . 42.9 p -105.01 148.51 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.986 ' HA3' HD13 ' B' ' 6' ' ' ILE . . . -40.54 -32.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.34 -40.79 92.52 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -85.65 -32.2 22.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 34' ' ' ARG . . . -59.83 -50.34 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.6 -46.89 58.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -59.04 -39.18 81.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ALA . 78.8 mt -74.06 -67.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -39.74 -46.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -72.43 -31.54 65.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . -56.07 -47.55 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -62.55 -44.23 96.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.61 26.87 40.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 48' ' ' LEU . 59.6 mt-10 -105.67 115.98 60.75 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 53.4 Cg_endo -69.84 148.06 63.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.0 m95 67.02 31.56 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 m -93.58 116.4 28.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.868 ' CB ' HD23 ' A' ' 107' ' ' LEU . 9.7 p90 -105.38 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -154.71 141.09 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 45' ' ' LEU . 25.6 t -111.24 135.5 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.729 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 1.6 ptp180 -147.58 175.33 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.52 151.87 26.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 m -85.37 176.15 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 14' ' ' SER . 34.3 mt -120.08 -62.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 m -52.05 -43.69 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.53 118.24 49.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.05 6.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 107.0 -46.74 1.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.9 m-20 -49.46 178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.9 m-85 -137.42 163.34 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' HE2' ' B' ' 8' ' ' PTR . 84.2 t -126.16 120.4 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -95.61 103.67 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -101.2 133.07 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 105' ' ' VAL . 39.3 t -137.13 137.22 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 27' ' ' GLU . 22.1 tp -95.13 122.73 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.9 p -81.29 162.21 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.1 t0 -89.0 16.31 7.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -118.69 127.92 26.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 150.34 68.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -73.31 -37.32 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.84 87.35 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.88 -164.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.98 34.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.635 2.223 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 -30.15 8.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.5 p -84.61 154.84 62.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.36 60.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.31 140.54 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -72.16 144.74 48.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 63' ' ' THR . 79.3 t -110.36 157.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 62' ' ' VAL . 93.8 m -134.15 122.67 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.15 114.61 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.681 HG21 HD11 ' B' ' 11' ' ' LEU . 17.0 mt -105.18 98.95 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -47.46 115.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 115.95 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -89.09 130.49 35.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.2 t -114.7 115.97 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -87.6 48.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.32 68.78 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.13 -31.07 3.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -120.07 169.26 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CD2' HD22 ' A' ' 85' ' ' LEU . 95.9 m-85 -135.56 139.39 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -144.08 153.31 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' B' ' 11' ' ' LEU . 6.3 m -132.57 113.72 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' C ' HD13 ' B' ' 13' ' ' LEU . . . 31.3 54.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.572 ' N ' HD13 ' B' ' 13' ' ' LEU . . . 176.84 171.4 40.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.58 -17.86 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.685 0.278 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.28 109.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -118.14 101.97 8.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 12.8 m-85 -83.83 155.59 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.19 -41.7 94.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -147.54 169.61 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.3 mm? -57.35 -32.47 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.7 m -59.87 -38.95 83.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 2.9 m-20 -81.52 -35.95 29.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 4.3 tt -70.89 -31.89 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 31' ' ' PHE . 75.9 t -85.37 -45.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 87' ' ' ASP . 1.8 pp20? -58.3 -41.64 84.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -59.75 -42.42 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 22.9 m-85 -75.76 -29.36 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.84 -23.0 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.9 ptpt -103.74 -46.81 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 94' ' ' LYS . 69.2 p -85.96 -46.16 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' PHE . . . 98.83 158.79 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' B' ' 11' ' ' LEU . 36.7 mt -98.51 140.09 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 111.207 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -116.64 116.88 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.481 ' HA ' HD23 ' B' ' 11' ' ' LEU . 17.0 mt-10 -72.82 145.64 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.24 -32.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -73.93 -41.62 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 -28.05 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 142.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 106' ' ' TYR . 12.4 m-85 -117.79 107.91 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.867 HG12 HG11 ' A' ' 47' ' ' VAL . 5.0 t -86.42 128.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 13.2 m-85 -111.79 124.56 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.868 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -104.49 112.31 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -129.88 -30.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 1.4 mt-30 -106.91 98.32 20.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.731 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' GLN . 54.1 Cg_endo -69.8 91.23 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -48.6 121.71 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -88.85 160.59 17.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.7 t -64.85 103.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . -38.14 107.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.4 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m 73.56 48.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 p -102.18 90.96 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.889 0.375 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -123.74 -52.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.23 41.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -43.96 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -172.78 117.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.986 HD13 ' HA3' ' A' ' 15' ' ' GLY . 5.4 pt -83.57 166.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.9 m -140.39 117.79 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.631 ' HE2' HG13 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.91 163.45 13.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -109.45 157.81 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 65' ' ' ILE . 57.1 mt -122.94 163.46 20.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.448 ' C ' HD23 ' B' ' 13' ' ' LEU . 2.7 t30 -86.27 150.27 24.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.675 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -175.28 -177.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.02 -42.34 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 0 0 . 1 stop_ save_