data_2di8_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 2di8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' HD11 ' A' ' 21' ' ' LEU . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 54' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' NZ ' HD22 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.408 ' HE2' ' C ' ' A' ' 70' ' ' TYR . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.516 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD2' HD23 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 HG21 ' CD1' ' A' ' 84' ' ' PHE . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 33' ' ' ILE . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.4 ' N ' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' A' ' 36' ' ' THR . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD21 ' CD2' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' CE2' ' HB ' ' A' ' 68' ' ' VAL . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' CD2' ' A' ' 84' ' ' PHE . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD1' HG23 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 32' ' ' PHE . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' HG21 ' A' ' 36' ' ' THR . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.565 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD1' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 HG22 ' CD2' ' A' ' 84' ' ' PHE . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 45' ' ' SER . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 44' ' ' ILE . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.498 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.456 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 36' ' ' THR . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.467 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' CA ' HG22 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.478 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.514 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' A' ' 95' ' ' THR . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.545 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.472 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.433 HG23 ' CG1' ' A' ' 77' ' ' VAL . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.408 HG22 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD22 ' CD2' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 HD23 ' CG ' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD23 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.408 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.544 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' CG2' HD12 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.492 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.544 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.429 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG21 ' CE2' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD22 ' CG ' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.448 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 32' ' ' PHE . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 21' ' ' LEU . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.507 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' N ' HG23 ' A' ' 33' ' ' ILE . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HD13 ' CG2' ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 34' ' ' VAL . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.458 ' N ' HG21 ' A' ' 33' ' ' ILE . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.465 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 33' ' ' ILE . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.428 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 32' ' ' PHE . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' TYR . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.435 HG21 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.433 ' CE2' HG12 ' A' ' 54' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.4 HG21 ' CG1' ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 84' ' ' PHE . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 54' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG2' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.419 ' CG2' HG13 ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 36' ' ' THR . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD23 ' CD1' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' ILE . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 78' ' ' TYR . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 68' ' ' VAL . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.483 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.2 m-70 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE1' HD23 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA3' ' CB ' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' CD1' HD11 ' A' ' 33' ' ' ILE . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.415 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 28' ' ' GLU . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.411 ' HE2' ' C ' ' A' ' 70' ' ' TYR . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 ' N ' HG22 ' A' ' 33' ' ' ILE . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.545 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.498 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CD2' HD22 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.456 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.0 m-70 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' CD ' ' A' ' 97' ' ' LYS . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' CD ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 34' ' ' VAL . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 33' ' ' ILE . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.41 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -75.75 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -52.11 140.36 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -132.05 2.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -38.86 147.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -71.26 130.24 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' TYR . . . -114.63 44.17 1.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 9' ' ' GLY . 33.4 mt -46.61 141.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -117.45 -157.22 10.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' HD11 ' A' ' 21' ' ' LEU . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 54' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' NZ ' HD22 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -112.12 132.96 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.79 -152.57 8.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -54.53 173.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.38 66.91 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -42.53 153.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -43.44 -39.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -154.9 152.68 30.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.3 t -104.69 -51.99 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.65 12.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.4 m -119.86 107.05 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -48.81 124.1 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -119.32 169.6 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -41.54 108.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 -177.33 51.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -111.01 171.08 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -83.07 -42.55 17.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' TYR . . . 169.62 -73.46 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.48 151.43 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.16 -144.99 8.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.408 ' HE2' ' C ' ' A' ' 70' ' ' TYR . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -71.87 -68.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.71 -106.7 2.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -77.58 58.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.06 -118.48 3.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -90.26 132.99 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.9 142.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -110.71 108.81 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -97.8 109.76 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -162.18 61.54 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 177.86 5.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.8 m -152.65 167.12 29.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.8 t -95.96 137.87 34.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -96.41 103.28 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -53.73 -44.58 70.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.65 72.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -136.15 110.42 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -137.03 159.12 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' HA3' ' CD2' ' A' ' 41' ' ' TYR . . . -49.27 159.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.91 152.95 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.36 -165.55 13.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.516 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD2' HD23 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 HG21 ' CD1' ' A' ' 84' ' ' PHE . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.403 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 33' ' ' ILE . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.4 ' N ' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' A' ' 36' ' ' THR . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m -101.2 142.65 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -135.18 71.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -118.15 -53.19 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.27 77.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ptt-85 -57.72 160.64 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.51 124.46 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.79 -42.47 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -40.42 108.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 124.82 76.38 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.17 69.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -126.65 89.72 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -63.76 162.34 13.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 160.6 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.344 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -114.79 130.28 56.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 170.75 37.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -89.13 166.52 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -81.3 119.22 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.02 138.35 2.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.06 153.71 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.05 167.85 36.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD21 ' CD2' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' CE2' ' HB ' ' A' ' 68' ' ' VAL . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' CD2' ' A' ' 84' ' ' PHE . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD1' HG23 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 32' ' ' PHE . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' HG21 ' A' ' 36' ' ' THR . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 157.1 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.81 58.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.38 113.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.3 105.14 2.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -105.92 137.26 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' LYS . 90.4 t -57.6 109.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.6 ttpm? -35.17 127.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -90.67 150.87 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.84 82.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.76 -6.94 19.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 108' ' ' PRO . 38.5 p 34.79 45.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -102.61 84.85 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.28 42.74 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -50.11 135.19 21.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.51 -39.23 87.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -114.44 115.87 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -140.24 140.23 35.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.97 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp -89.67 138.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.08 -178.57 15.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.565 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD1' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 HG22 ' CD2' ' A' ' 84' ' ' PHE . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 45' ' ' SER . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 44' ' ' ILE . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.498 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.456 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CD2' HG22 ' A' ' 36' ' ' THR . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.466 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -98.92 165.11 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . -103.47 -145.97 15.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' GLY . 33.7 mt-10 -35.83 143.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.93 104.49 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -136.9 153.43 50.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 p -72.24 144.29 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -85.35 87.22 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -66.5 -60.13 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.94 77.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.96 32.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.1 p -142.79 144.15 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p -52.12 111.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.9 m -37.48 106.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -45.89 -51.82 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.3 110.04 2.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -54.97 -37.8 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -86.89 109.72 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 19.41 13.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.38 141.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.87 -143.86 14.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.467 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' CA ' HG22 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.478 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.514 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' A' ' 95' ' ' THR . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.545 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.472 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.433 HG23 ' CG1' ' A' ' 77' ' ' VAL . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.408 HG22 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m -63.85 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 116.56 -135.97 12.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.39 136.59 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.74 130.26 4.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -143.73 155.9 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.49 142.71 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -122.59 167.35 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.6 p -54.86 -59.91 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.82 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 90.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.362 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -137.92 154.96 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -57.56 122.15 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -67.46 133.78 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -43.67 120.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 -160.46 28.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -104.15 85.12 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.863 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.3 110.91 5.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.62 -46.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -178.36 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -172.2 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD22 ' CD2' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t -77.27 -69.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.98 -102.09 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 41.48 38.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.83 -144.62 15.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -137.29 147.89 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 m -42.15 152.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -54.05 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -114.35 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.85 89.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.18 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.9 m 54.3 49.91 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t -80.5 96.33 6.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.35 128.97 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -54.62 121.48 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -73.81 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.39 -55.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -38.81 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.53 81.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.0 pt -125.92 151.45 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -152.12 -176.49 24.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD23 ' CG ' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CG ' HD23 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.544 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' CG2' HD12 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.492 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.544 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m -100.04 131.41 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.97 99.28 1.06 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -153.95 174.09 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.32 118.91 2.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.57 138.88 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -44.19 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -105.53 141.98 36.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -95.11 148.13 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.31 75.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.89 15.48 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.306 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 p -134.55 126.54 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t 70.55 42.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -169.95 140.59 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -58.92 -59.09 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.96 169.21 34.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -62.95 142.22 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 81.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.61 136.64 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.78 162.44 16.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG21 ' CE2' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD22 ' CG ' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.434 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.448 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m -64.55 -69.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 104.9 -66.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -82.36 152.57 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.406 ' C ' ' HD3' ' A' ' 103' ' ' ARG . . . 93.94 96.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 102' ' ' GLY . 1.2 mpp_? -129.66 109.8 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.4 p -60.68 139.36 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.48 122.36 31.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.2 t -165.45 136.15 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.86 95.89 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 117.4 5.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 m -86.7 178.27 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -135.51 177.23 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -74.16 92.37 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.3 165.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.55 155.41 8.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -113.74 126.65 55.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -106.53 105.13 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 -65.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 11.3 mm -138.76 140.29 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.085 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.94 -148.79 11.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 32' ' ' PHE . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 21' ' ' LEU . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.507 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' A' ' 8' ' ' ILE . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -74.71 -65.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . 87.76 -140.61 16.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' GLY . 70.4 mt-10 -37.45 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' GLY . . . -165.09 -53.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -49.47 106.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -64.9 149.12 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -113.56 164.36 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -128.65 114.29 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.2 83.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 147.99 63.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -59.34 116.37 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -68.35 -44.25 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -58.28 135.01 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.24 -178.22 18.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -143.98 138.92 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -38.58 -46.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.11 151.96 22.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.86 -179.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.52 -171.58 31.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.514 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' N ' HG23 ' A' ' 33' ' ' ILE . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HD13 ' CG2' ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t -72.7 -71.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.99 44.85 54.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -106.38 38.18 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.22 -164.07 38.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -110.66 127.09 55.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.51 151.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -120.84 125.5 47.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -91.42 -64.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.98 86.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.68 24.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.8 t -87.48 111.27 21.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -81.0 -49.37 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -91.67 153.57 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -114.7 -48.63 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 76.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -67.74 118.94 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -54.24 151.76 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 -22.61 74.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -134.65 140.25 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 111.112 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.06 -175.83 19.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 34' ' ' VAL . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' N ' HG21 ' A' ' 33' ' ' ILE . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.465 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.459 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -95.93 155.92 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.11 42.02 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -90.56 85.19 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 53.28 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -170.37 111.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.2 155.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.69 121.5 25.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 t -151.56 135.69 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.29 73.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.3 Cg_endo -69.75 -10.39 28.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' PRO . 10.0 m -36.62 120.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -64.61 95.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -85.8 131.22 34.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -68.11 124.93 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -50.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -74.08 176.29 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -100.96 55.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' HA3' ' CD2' ' A' ' 41' ' ' TYR . . . 52.36 102.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 pt -113.73 166.68 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 178.2 28.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 33' ' ' ILE . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.428 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -73.93 -66.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.3 -123.25 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.17 89.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.81 152.43 5.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -151.94 132.3 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 m -56.54 131.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -81.05 103.45 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 p -104.35 134.13 48.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.74 71.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.74 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' PRO . 94.2 p -37.79 111.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 151.03 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -116.12 155.5 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -119.85 149.39 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.14 -175.58 19.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 164.19 13.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -101.34 134.08 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 -130.72 10.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.9 -177.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . -110.9 -153.22 13.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 32' ' ' PHE . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' TYR . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.435 HG21 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.433 ' CE2' HG12 ' A' ' 54' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.4 HG21 ' CG1' ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m -90.92 144.36 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.17 56.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -99.42 162.22 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.81 109.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 104' ' ' VAL . 4.5 ppt_? -43.93 168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 93.5 t -44.48 101.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -82.96 -49.23 9.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -69.14 81.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.69 73.22 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.32 6.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 m -129.46 -56.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -69.62 98.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -140.31 169.42 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -128.34 95.14 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 -113.49 2.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -73.75 160.47 31.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.43 107.73 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 165.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 pt -126.43 154.37 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.56 -173.67 13.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 84' ' ' PHE . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 54' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG2' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 ' CG2' HG13 ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 36' ' ' THR . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m -57.67 -72.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.05 -28.34 9.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.72 -45.93 91.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.43 151.88 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.08 130.79 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.45 130.74 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -41.14 160.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.5 p -68.06 -44.71 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.91 81.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 158.19 57.82 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.2 m -133.75 121.61 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 t -83.61 -41.1 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -103.77 165.73 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.51 169.37 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 76.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -57.12 171.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -155.97 112.1 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.7 -107.96 3.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -111.34 175.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.42 -130.16 4.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD23 ' CD1' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' ILE . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 78' ' ' TYR . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 68' ' ' VAL . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.483 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.2 m-70 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -94.0 129.5 40.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.21 56.15 0.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -129.3 -55.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.38 71.51 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -102.91 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.63 143.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.42 106.94 19.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -158.34 132.47 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.64 89.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -86.87 115.61 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -121.07 109.98 15.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -137.96 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -107.64 154.52 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.32 125.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -100.75 173.83 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -49.15 -56.09 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.07 56.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.17 150.08 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -147.76 -178.28 22.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE1' HD23 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA3' ' CB ' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' CD1' HD11 ' A' ' 33' ' ' ILE . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.438 ' CB ' ' N ' ' A' ' 101' ' ' GLU . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.415 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLU . 1.1 t -83.56 -20.11 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' SER . . . -35.17 -31.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' SER . 12.4 mm-40 -40.06 -42.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.49 -124.25 2.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -162.67 106.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.4 109.74 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -102.57 80.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -168.46 111.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.09 94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.73 3.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -61.18 134.29 56.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.2 m -82.78 164.48 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -131.44 97.19 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.28 105.85 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.01 -72.12 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -42.85 164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 39.59 51.59 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 67.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt -126.01 164.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.2 171.49 43.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 28' ' ' GLU . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.411 ' HE2' ' C ' ' A' ' 70' ' ' TYR . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 ' N ' HG22 ' A' ' 33' ' ' ILE . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.545 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.498 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -90.75 130.0 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.72 65.93 3.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -129.34 141.39 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 -126.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -126.45 161.59 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -44.37 151.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 137.79 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -113.37 166.24 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.99 84.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 t -89.11 146.81 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -122.4 116.92 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -100.48 146.22 27.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -122.28 42.44 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.0 103.9 0.48 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.81 119.27 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -106.18 148.28 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.26 -28.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mm -58.73 141.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.09 -146.71 17.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CE2' ' CG2' ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CE2' ' NH2' ' A' ' 103' ' ' ARG . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CD2' HD22 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.456 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.0 m-70 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' CD ' ' A' ' 97' ' ' LYS . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' CD ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -99.04 145.52 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.55 52.59 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -114.27 57.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.59 95.2 2.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' NH2' ' CE2' ' A' ' 27' ' ' PHE . 12.9 ptt180 -92.92 162.85 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.32 128.04 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -139.4 163.49 32.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.8 m -117.59 119.41 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.04 75.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.29 68.75 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 t -159.34 152.75 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -167.8 163.01 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -101.69 170.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -89.36 -54.79 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 147.26 18.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -53.38 -48.78 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -44.07 164.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.55 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 mm -123.01 137.54 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -152.79 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 34' ' ' VAL . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 33' ' ' ILE . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.41 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . 67.78 -156.24 52.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' GLY . 5.6 pt-20 -37.28 107.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' ARG . . . 145.54 41.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' GLY . 30.0 mmt180 -36.34 123.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.0 m -46.22 151.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 105' ' ' LYS . 3.1 pptp? -117.95 168.17 10.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.9 p -137.93 130.96 30.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 83.92 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -66.84 -51.44 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -50.93 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 16' ' ' VAL . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 44' ' ' ILE . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 36' ' ' THR . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' CD1' HG21 ' A' ' 58' ' ' THR . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 80' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' LEU . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' NZ ' HD21 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 75' ' ' PRO . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 48' ' ' VAL . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.674 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' HG23 ' A' ' 98' ' ' ILE . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.653 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 65' ' ' THR . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 80' ' ' VAL . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 48' ' ' VAL . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.674 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 25' ' ' ARG . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.732 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.888 HD21 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.484 HG21 ' HD3' ' A' ' 75' ' ' PRO . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.888 ' CD2' HD21 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 33' ' ' ILE . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.68 HG12 HG23 ' A' ' 36' ' ' THR . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.68 HG23 HG12 ' A' ' 34' ' ' VAL . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 10' ' ' ASP . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 68' ' ' VAL . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 80' ' ' VAL . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 35' ' ' ASP . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 46' ' ' LEU . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 48' ' ' VAL . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.75 ' CG ' HD21 ' A' ' 21' ' ' LEU . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG12 HG23 ' A' ' 36' ' ' THR . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 65' ' ' THR . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.584 HG23 HG12 ' A' ' 34' ' ' VAL . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.873 HD13 HG22 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 80' ' ' VAL . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 35' ' ' ASP . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.873 HG22 HD13 ' A' ' 46' ' ' LEU . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 48' ' ' VAL . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.429 HG23 HD21 ' A' ' 46' ' ' LEU . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.525 HG21 ' HD3' ' A' ' 75' ' ' PRO . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.804 ' CD2' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 36' ' ' THR . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 HG12 ' A' ' 34' ' ' VAL . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' LYS . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 80' ' ' VAL . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.525 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 95' ' ' THR . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 48' ' ' VAL . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 77' ' ' VAL . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 34' ' ' VAL . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 80' ' ' VAL . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 35' ' ' ASP . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 48' ' ' VAL . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 HG22 ' A' ' 34' ' ' VAL . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 75' ' ' PRO . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.571 HG22 HG12 ' A' ' 16' ' ' VAL . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' VAL . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 HD11 ' A' ' 56' ' ' ILE . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 HG23 ' A' ' 48' ' ' VAL . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 56' ' ' ILE . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.52 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.466 HG21 ' HD3' ' A' ' 75' ' ' PRO . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG12 HG23 ' A' ' 36' ' ' THR . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 34' ' ' VAL . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD13 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 HD11 ' A' ' 56' ' ' ILE . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.549 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 48' ' ' VAL . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' OG1' ' A' ' 65' ' ' THR . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 61' ' ' LEU . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.797 ' CG2' HD13 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 48' ' ' VAL . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.552 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.524 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 36' ' ' THR . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.675 HG23 HG12 ' A' ' 34' ' ' VAL . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 36' ' ' THR . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD13 HG22 ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HG23 ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD12 ' OG1' ' A' ' 65' ' ' THR . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.529 ' OG1' HD12 ' A' ' 61' ' ' LEU . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.783 HG22 HD13 ' A' ' 46' ' ' LEU . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' ' 93' ' ' PRO . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.665 ' HB2' HG23 ' A' ' 79' ' ' ILE . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 70' ' ' TYR . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 17' ' ' TYR . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG12 HG23 ' A' ' 36' ' ' THR . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.662 HG23 HG12 ' A' ' 34' ' ' VAL . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 80' ' ' VAL . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.412 HG23 ' CG1' ' A' ' 68' ' ' VAL . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 68' ' ' VAL . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 30' ' ' SER . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.584 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 HG23 ' A' ' 95' ' ' THR . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 48' ' ' VAL . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 77' ' ' VAL . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 20' ' ' GLY . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' PRO . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 95' ' ' THR . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 77' ' ' VAL . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 94' ' ' PHE . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' C ' HG23 ' A' ' 98' ' ' ILE . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' HD3' ' A' ' 75' ' ' PRO . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.857 HD13 ' CG2' ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 80' ' ' VAL . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 48' ' ' VAL . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.857 ' CG2' HD13 ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.503 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 48' ' ' VAL . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.78 HG23 HD21 ' A' ' 46' ' ' LEU . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' C ' ' A' ' 25' ' ' ARG . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 96' ' ' VAL . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.529 HG21 ' HD3' ' A' ' 75' ' ' PRO . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 34' ' ' VAL . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 48' ' ' VAL . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 68' ' ' VAL . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.529 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 95' ' ' THR . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.564 HG23 HG13 ' A' ' 77' ' ' VAL . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 96' ' ' VAL . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' C ' HG23 ' A' ' 98' ' ' ILE . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.538 HG21 ' HD3' ' A' ' 75' ' ' PRO . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 HG23 ' A' ' 36' ' ' THR . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG12 ' A' ' 34' ' ' VAL . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 80' ' ' VAL . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.566 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.419 ' OG1' HD12 ' A' ' 61' ' ' LEU . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.641 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 48' ' ' VAL . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 HG13 ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' LEU . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.503 HG23 ' C ' ' A' ' 25' ' ' ARG . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 32' ' ' PHE . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 80' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 56' ' ' ILE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.586 HG13 HG23 ' A' ' 95' ' ' THR . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 93' ' ' PRO . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 48' ' ' VAL . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HB2' HG23 ' A' ' 79' ' ' ILE . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 77' ' ' VAL . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CD ' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' HD21 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 68' ' ' VAL . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 80' ' ' VAL . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 48' ' ' VAL . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.521 ' HD2' HG12 ' A' ' 48' ' ' VAL . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 21' ' ' LEU . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.501 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 82' ' ' THR . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 HG21 ' HD3' ' A' ' 75' ' ' PRO . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG12 HG23 ' A' ' 36' ' ' THR . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.583 HG23 HG12 ' A' ' 34' ' ' VAL . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 48' ' ' VAL . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.593 HG21 HD12 ' A' ' 46' ' ' LEU . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' HD12 ' A' ' 61' ' ' LEU . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG22 HD13 ' A' ' 46' ' ' LEU . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' HD2' HG12 ' A' ' 48' ' ' VAL . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 48' ' ' VAL . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.572 HG21 HG11 ' A' ' 16' ' ' VAL . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.711 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' CB ' HH11 ' A' ' 19' ' ' ARG . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.607 ' C ' HG23 ' A' ' 98' ' ' ILE . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.506 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 16' ' ' VAL . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.559 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.53 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.607 HG23 ' C ' ' A' ' 25' ' ' ARG . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.633 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.659 HG12 HG23 ' A' ' 36' ' ' THR . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.659 HG23 HG12 ' A' ' 34' ' ' VAL . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 80' ' ' VAL . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 35' ' ' ASP . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 95' ' ' THR . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' HD2' HG12 ' A' ' 48' ' ' VAL . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 48' ' ' VAL . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.42 ' HG3' ' CE1' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.42 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 12.2 m80 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG13 ' A' ' 77' ' ' VAL . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 96' ' ' VAL . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.488 HG21 ' HD3' ' A' ' 75' ' ' PRO . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 HG23 ' A' ' 36' ' ' THR . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HG21 ' A' ' 36' ' ' THR . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.554 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.488 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 93' ' ' PRO . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 48' ' ' VAL . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' LEU . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.404 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -75.75 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -52.11 140.36 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -132.05 2.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -38.86 147.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -71.26 130.24 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' TYR . . . -114.63 44.17 1.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mt -46.61 141.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.45 -157.22 10.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 16' ' ' VAL . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 44' ' ' ILE . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 36' ' ' THR . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' CD1' HG21 ' A' ' 58' ' ' THR . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 80' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' LEU . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' NZ ' HD21 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 75' ' ' PRO . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 48' ' ' VAL . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -112.12 132.96 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.79 -152.57 8.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -54.53 173.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.38 66.91 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -42.53 153.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -43.44 -39.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -154.9 152.68 30.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.3 t -104.69 -51.99 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.65 12.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.4 m -119.86 107.05 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -48.81 124.1 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -119.32 169.6 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -41.54 108.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 -177.33 51.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -111.01 171.08 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -83.07 -42.55 17.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' TYR . . . 169.62 -73.46 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.48 151.43 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.16 -144.99 8.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.674 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' HG23 ' A' ' 98' ' ' ILE . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 HG23 ' HA2' ' A' ' 100' ' ' GLY . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.653 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 65' ' ' THR . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 80' ' ' VAL . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 48' ' ' VAL . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.674 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 25' ' ' ARG . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -71.87 -68.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' A' ' 26' ' ' THR . . . 109.71 -106.7 2.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -77.58 58.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.06 -118.48 3.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -90.26 132.99 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.9 142.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -110.71 108.81 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -97.8 109.76 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -162.18 61.54 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 177.86 5.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.8 m -152.65 167.12 29.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.8 t -95.96 137.87 34.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -96.41 103.28 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -53.73 -44.58 70.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.65 72.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -136.15 110.42 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -137.03 159.12 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.27 159.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 ' C ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -126.91 152.95 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.36 -165.55 13.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.732 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.888 HD21 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.484 HG21 ' HD3' ' A' ' 75' ' ' PRO . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.888 ' CD2' HD21 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 33' ' ' ILE . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.68 HG12 HG23 ' A' ' 36' ' ' THR . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.68 HG23 HG12 ' A' ' 34' ' ' VAL . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 10' ' ' ASP . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 68' ' ' VAL . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 80' ' ' VAL . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 35' ' ' ASP . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 46' ' ' LEU . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 48' ' ' VAL . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m -101.2 142.65 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -135.18 71.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -118.15 -53.19 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.27 77.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ptt-85 -57.72 160.64 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.51 124.46 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.79 -42.47 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -40.42 108.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 124.82 76.38 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.17 69.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -126.65 89.72 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -63.76 162.34 13.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 160.6 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.344 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -114.79 130.28 56.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 170.75 37.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -89.13 166.52 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -81.3 119.22 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.02 138.35 2.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.06 153.71 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.05 167.85 36.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.75 ' CG ' HD21 ' A' ' 21' ' ' LEU . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG12 HG23 ' A' ' 36' ' ' THR . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 65' ' ' THR . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.584 HG23 HG12 ' A' ' 34' ' ' VAL . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.873 HD13 HG22 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 80' ' ' VAL . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 35' ' ' ASP . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.873 HG22 HD13 ' A' ' 46' ' ' LEU . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 48' ' ' VAL . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.429 HG23 HD21 ' A' ' 46' ' ' LEU . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 157.1 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.81 58.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.38 113.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.3 105.14 2.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -105.92 137.26 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' LYS . 90.4 t -57.6 109.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.6 ttpm? -35.17 127.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -90.67 150.87 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.84 82.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.76 -6.94 19.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 108' ' ' PRO . 38.5 p 34.79 45.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -102.61 84.85 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.28 42.74 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -50.11 135.19 21.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.51 -39.23 87.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -114.44 115.87 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -140.24 140.23 35.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.97 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.4 pp -89.67 138.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.08 -178.57 15.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.525 HG21 ' HD3' ' A' ' 75' ' ' PRO . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.804 ' CD2' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 36' ' ' THR . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 HG12 ' A' ' 34' ' ' VAL . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' LYS . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 80' ' ' VAL . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.525 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 95' ' ' THR . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 48' ' ' VAL . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 77' ' ' VAL . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -98.92 165.11 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . -103.47 -145.97 15.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' GLY . 33.7 mt-10 -35.83 143.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.93 104.49 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -136.9 153.43 50.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 p -72.24 144.29 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -85.35 87.22 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -66.5 -60.13 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.94 77.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.96 32.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.1 p -142.79 144.15 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p -52.12 111.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.9 m -37.48 106.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -45.89 -51.82 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.3 110.04 2.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -54.97 -37.8 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -86.89 109.72 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 19.41 13.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 26.7 mm -63.38 141.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.87 -143.86 14.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 34' ' ' VAL . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 80' ' ' VAL . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 35' ' ' ASP . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 48' ' ' VAL . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB1' ' CG2' ' A' ' 8' ' ' ILE . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m -63.85 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 116.56 -135.97 12.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.39 136.59 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.74 130.26 4.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -143.73 155.9 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.49 142.71 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -122.59 167.35 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.6 p -54.86 -59.91 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.82 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 90.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.362 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -137.92 154.96 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -57.56 122.15 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -67.46 133.78 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -43.67 120.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 -160.46 28.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -104.15 85.12 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.863 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.3 110.91 5.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.62 -46.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -122.19 -178.36 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -172.2 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 HG22 ' A' ' 34' ' ' VAL . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 75' ' ' PRO . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.571 HG22 HG12 ' A' ' 16' ' ' VAL . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' VAL . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 HD11 ' A' ' 56' ' ' ILE . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 HG23 ' A' ' 48' ' ' VAL . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 56' ' ' ILE . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.52 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t -77.27 -69.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.98 -102.09 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 41.48 38.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.83 -144.62 15.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -137.29 147.89 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 m -42.15 152.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -54.05 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -114.35 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.85 89.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.18 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.9 m 54.3 49.91 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t -80.5 96.33 6.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.35 128.97 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -54.62 121.48 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -73.81 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.39 -55.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -38.81 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.53 81.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.0 pt -125.92 151.45 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -152.12 -176.49 24.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 HG21 ' HD3' ' A' ' 75' ' ' PRO . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG12 HG23 ' A' ' 36' ' ' THR . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 34' ' ' VAL . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD13 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 HD11 ' A' ' 56' ' ' ILE . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.549 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 48' ' ' VAL . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' OG1' ' A' ' 65' ' ' THR . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 61' ' ' LEU . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.797 ' CG2' HD13 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 48' ' ' VAL . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.552 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m -100.04 131.41 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.97 99.28 1.06 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -153.95 174.09 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.32 118.91 2.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.57 138.88 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -44.19 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -105.53 141.98 36.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -95.11 148.13 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.31 75.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.89 15.48 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.306 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 p -134.55 126.54 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t 70.55 42.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -169.95 140.59 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -58.92 -59.09 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.96 169.21 34.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -62.95 142.22 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 81.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.61 136.64 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.78 162.44 16.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.524 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 36' ' ' THR . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.675 HG23 HG12 ' A' ' 34' ' ' VAL . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 36' ' ' THR . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD13 HG22 ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HG23 ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD12 ' OG1' ' A' ' 65' ' ' THR . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.529 ' OG1' HD12 ' A' ' 61' ' ' LEU . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.783 HG22 HD13 ' A' ' 46' ' ' LEU . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' ' 93' ' ' PRO . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.665 ' HB2' HG23 ' A' ' 79' ' ' ILE . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m -64.55 -69.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 104.9 -66.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -82.36 152.57 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 103' ' ' ARG . . . 93.94 96.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 102' ' ' GLY . 1.2 mpp_? -129.66 109.8 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.4 p -60.68 139.36 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.48 122.36 31.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.2 t -165.45 136.15 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 108' ' ' PRO . . . 175.86 95.89 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 107' ' ' GLY . 54.3 Cg_endo -69.74 117.4 5.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 m -86.7 178.27 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -135.51 177.23 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -74.16 92.37 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.3 165.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.55 155.41 8.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -113.74 126.65 55.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -106.53 105.13 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.646 ' O ' HD13 ' A' ' 8' ' ' ILE . . . 175.81 -65.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 7' ' ' GLY . 11.3 mm -138.76 140.29 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.085 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.94 -148.79 11.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 70' ' ' TYR . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 17' ' ' TYR . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG12 HG23 ' A' ' 36' ' ' THR . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.662 HG23 HG12 ' A' ' 34' ' ' VAL . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 80' ' ' VAL . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.412 HG23 ' CG1' ' A' ' 68' ' ' VAL . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 68' ' ' VAL . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 30' ' ' SER . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.584 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 HG23 ' A' ' 95' ' ' THR . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 48' ' ' VAL . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 8' ' ' ILE . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 77' ' ' VAL . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 20' ' ' GLY . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -74.71 -65.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . 87.76 -140.61 16.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' GLY . 70.4 mt-10 -37.45 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' GLY . . . -165.09 -53.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -49.47 106.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -64.9 149.12 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -113.56 164.36 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -128.65 114.29 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.2 83.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 147.99 63.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -59.34 116.37 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -68.35 -44.25 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -58.28 135.01 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.24 -178.22 18.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -143.98 138.92 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -38.58 -46.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.11 151.96 22.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -120.86 -179.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.52 -171.58 31.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.514 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' PRO . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 95' ' ' THR . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 77' ' ' VAL . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t -72.7 -71.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.99 44.85 54.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -106.38 38.18 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.22 -164.07 38.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -110.66 127.09 55.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.51 151.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -120.84 125.5 47.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -91.42 -64.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.98 86.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.68 24.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.8 t -87.48 111.27 21.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -81.0 -49.37 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -91.67 153.57 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -114.7 -48.63 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 76.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -67.74 118.94 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -54.24 151.76 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 -22.61 74.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -134.65 140.25 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 111.112 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.06 -175.83 19.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 94' ' ' PHE . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' C ' HG23 ' A' ' 98' ' ' ILE . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' HD3' ' A' ' 75' ' ' PRO . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.857 HD13 ' CG2' ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 80' ' ' VAL . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 48' ' ' VAL . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.857 ' CG2' HD13 ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.503 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 48' ' ' VAL . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.78 HG23 HD21 ' A' ' 46' ' ' LEU . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' C ' ' A' ' 25' ' ' ARG . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -95.93 155.92 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.11 42.02 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -90.56 85.19 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 53.28 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -170.37 111.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.2 155.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.69 121.5 25.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 t -151.56 135.69 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.29 73.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.3 Cg_endo -69.75 -10.39 28.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' PRO . 10.0 m -36.62 120.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -64.61 95.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -85.8 131.22 34.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -68.11 124.93 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -50.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -74.08 176.29 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -100.96 55.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' HA3' ' CD2' ' A' ' 41' ' ' TYR . . . 52.36 102.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 pt -113.73 166.68 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 178.2 28.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 96' ' ' VAL . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.529 HG21 ' HD3' ' A' ' 75' ' ' PRO . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 34' ' ' VAL . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.492 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 48' ' ' VAL . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 68' ' ' VAL . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.529 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 95' ' ' THR . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.564 HG23 HG13 ' A' ' 77' ' ' VAL . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -73.93 -66.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.3 -123.25 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.17 89.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.81 152.43 5.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -151.94 132.3 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 m -56.54 131.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -81.05 103.45 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 p -104.35 134.13 48.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.74 71.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.74 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' PRO . 94.2 p -37.79 111.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 151.03 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -116.12 155.5 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -119.85 149.39 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.14 -175.58 19.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 164.19 13.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -101.34 134.08 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 -130.72 10.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.9 -177.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . -110.9 -153.22 13.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 96' ' ' VAL . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' C ' HG23 ' A' ' 98' ' ' ILE . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.538 HG21 ' HD3' ' A' ' 75' ' ' PRO . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 HG23 ' A' ' 36' ' ' THR . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG12 ' A' ' 34' ' ' VAL . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 80' ' ' VAL . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.566 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.419 ' OG1' HD12 ' A' ' 61' ' ' LEU . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.641 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 48' ' ' VAL . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 HG13 ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' LEU . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.503 HG23 ' C ' ' A' ' 25' ' ' ARG . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m -90.92 144.36 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.17 56.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -99.42 162.22 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.81 109.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 104' ' ' VAL . 4.5 ppt_? -43.93 168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 93.5 t -44.48 101.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -82.96 -49.23 9.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -69.14 81.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.69 73.22 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.32 6.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 m -129.46 -56.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -69.62 98.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -140.31 169.42 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -128.34 95.14 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 -113.49 2.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -73.75 160.47 31.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.43 107.73 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 165.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 pt -126.43 154.37 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.56 -173.67 13.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 32' ' ' PHE . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 80' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 56' ' ' ILE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.586 HG13 HG23 ' A' ' 95' ' ' THR . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 93' ' ' PRO . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 48' ' ' VAL . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HB2' HG23 ' A' ' 79' ' ' ILE . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 77' ' ' VAL . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CD ' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m -57.67 -72.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.05 -28.34 9.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.72 -45.93 91.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.43 151.88 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.08 130.79 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.45 130.74 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -41.14 160.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.5 p -68.06 -44.71 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.91 81.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 158.19 57.82 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.2 m -133.75 121.61 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 t -83.61 -41.1 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -103.77 165.73 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.51 169.37 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 76.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -57.12 171.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -155.97 112.1 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.7 -107.96 3.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -111.34 175.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.42 -130.16 4.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' HD21 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 68' ' ' VAL . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 80' ' ' VAL . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 48' ' ' VAL . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.521 ' HD2' HG12 ' A' ' 48' ' ' VAL . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 21' ' ' LEU . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.501 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -94.0 129.5 40.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.21 56.15 0.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -129.3 -55.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.38 71.51 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -102.91 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.63 143.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.42 106.94 19.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -158.34 132.47 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.64 89.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -86.87 115.61 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -121.07 109.98 15.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -137.96 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -107.64 154.52 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.32 125.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -100.75 173.83 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -49.15 -56.09 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.07 56.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.17 150.08 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -147.76 -178.28 22.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 82' ' ' THR . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.531 HG23 ' HA3' ' A' ' 100' ' ' GLY . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG12 HG23 ' A' ' 36' ' ' THR . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.583 HG23 HG12 ' A' ' 34' ' ' VAL . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 48' ' ' VAL . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.593 HG21 HD12 ' A' ' 46' ' ' LEU . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' HD12 ' A' ' 61' ' ' LEU . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG22 HD13 ' A' ' 46' ' ' LEU . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HB3' ' N ' ' A' ' 101' ' ' GLU . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' HD2' HG12 ' A' ' 48' ' ' VAL . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 48' ' ' VAL . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.572 HG21 HG11 ' A' ' 16' ' ' VAL . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.711 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.829 HG22 ' H ' ' A' ' 100' ' ' GLY . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLU . 1.1 t -83.56 -20.11 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.829 ' H ' HG22 ' A' ' 98' ' ' ILE . . . -35.17 -31.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' SER . 12.4 mm-40 -40.06 -42.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.49 -124.25 2.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -162.67 106.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.4 109.74 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -102.57 80.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -168.46 111.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.09 94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.73 3.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -61.18 134.29 56.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.2 m -82.78 164.48 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -131.44 97.19 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.28 105.85 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.01 -72.12 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -42.85 164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 39.59 51.59 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 67.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt -126.01 164.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.2 171.49 43.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' CB ' HH11 ' A' ' 19' ' ' ARG . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.607 ' C ' HG23 ' A' ' 98' ' ' ILE . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 16' ' ' VAL . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.559 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.607 HG23 ' C ' ' A' ' 25' ' ' ARG . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -90.75 130.0 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' CA ' ' HB3' ' A' ' 75' ' ' PRO . . . -88.72 65.93 3.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -129.34 141.39 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 -126.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -126.45 161.59 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -44.37 151.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 137.79 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -113.37 166.24 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.99 84.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 t -89.11 146.81 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -122.4 116.92 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -100.48 146.22 27.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -122.28 42.44 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.0 103.9 0.48 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.81 119.27 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -106.18 148.28 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.26 -28.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mm -58.73 141.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.09 -146.71 17.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.633 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CE2' ' NH2' ' A' ' 103' ' ' ARG . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.659 HG12 HG23 ' A' ' 36' ' ' THR . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.659 HG23 HG12 ' A' ' 34' ' ' VAL . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 80' ' ' VAL . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 35' ' ' ASP . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 95' ' ' THR . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' HD2' HG12 ' A' ' 48' ' ' VAL . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 48' ' ' VAL . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' HG3' ' CE1' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.42 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 12.2 m80 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG13 ' A' ' 77' ' ' VAL . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -99.04 145.52 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.55 52.59 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -114.27 57.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.59 95.2 2.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' NH2' ' CE2' ' A' ' 27' ' ' PHE . 12.9 ptt180 -92.92 162.85 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.32 128.04 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -139.4 163.49 32.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.8 m -117.59 119.41 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.04 75.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.29 68.75 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 t -159.34 152.75 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -167.8 163.01 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -101.69 170.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -89.36 -54.79 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 147.26 18.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -53.38 -48.78 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -44.07 164.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.55 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 mm -123.01 137.54 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -152.79 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 96' ' ' VAL . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.488 HG21 ' HD3' ' A' ' 75' ' ' PRO . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 HG23 ' A' ' 36' ' ' THR . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HG21 ' A' ' 36' ' ' THR . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.554 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.488 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 93' ' ' PRO . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 48' ' ' VAL . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' LEU . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.404 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . 67.78 -156.24 52.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' GLY . 5.6 pt-20 -37.28 107.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' ARG . . . 145.54 41.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' GLY . 30.0 mmt180 -36.34 123.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.0 m -46.22 151.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 105' ' ' LYS . 3.1 pptp? -117.95 168.17 10.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.9 p -137.93 130.96 30.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 83.92 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -66.84 -51.44 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -50.93 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 16' ' ' VAL . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 44' ' ' ILE . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 36' ' ' THR . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' CD1' HG21 ' A' ' 58' ' ' THR . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 80' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' LEU . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' NZ ' HD21 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 75' ' ' PRO . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 48' ' ' VAL . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.674 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' HG23 ' A' ' 98' ' ' ILE . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.653 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 65' ' ' THR . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 80' ' ' VAL . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 48' ' ' VAL . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.674 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 25' ' ' ARG . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.732 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.888 HD21 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.484 HG21 ' HD3' ' A' ' 75' ' ' PRO . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.888 ' CD2' HD21 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 33' ' ' ILE . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.68 HG12 HG23 ' A' ' 36' ' ' THR . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.68 HG23 HG12 ' A' ' 34' ' ' VAL . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 10' ' ' ASP . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 68' ' ' VAL . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 80' ' ' VAL . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 35' ' ' ASP . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 46' ' ' LEU . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 48' ' ' VAL . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.75 ' CG ' HD21 ' A' ' 21' ' ' LEU . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG12 HG23 ' A' ' 36' ' ' THR . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 65' ' ' THR . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.584 HG23 HG12 ' A' ' 34' ' ' VAL . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.873 HD13 HG22 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 80' ' ' VAL . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 35' ' ' ASP . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.873 HG22 HD13 ' A' ' 46' ' ' LEU . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 48' ' ' VAL . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.429 HG23 HD21 ' A' ' 46' ' ' LEU . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.525 HG21 ' HD3' ' A' ' 75' ' ' PRO . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.804 ' CD2' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 36' ' ' THR . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 HG12 ' A' ' 34' ' ' VAL . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' LYS . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 80' ' ' VAL . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.525 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 95' ' ' THR . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 48' ' ' VAL . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 77' ' ' VAL . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 34' ' ' VAL . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 80' ' ' VAL . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 35' ' ' ASP . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 48' ' ' VAL . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 HG22 ' A' ' 34' ' ' VAL . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 75' ' ' PRO . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.571 HG22 HG12 ' A' ' 16' ' ' VAL . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' VAL . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 HD11 ' A' ' 56' ' ' ILE . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 HG23 ' A' ' 48' ' ' VAL . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 56' ' ' ILE . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.52 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.466 HG21 ' HD3' ' A' ' 75' ' ' PRO . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG12 HG23 ' A' ' 36' ' ' THR . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 34' ' ' VAL . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD13 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 HD11 ' A' ' 56' ' ' ILE . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.549 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 48' ' ' VAL . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' OG1' ' A' ' 65' ' ' THR . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 61' ' ' LEU . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.797 ' CG2' HD13 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 48' ' ' VAL . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.552 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.524 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 36' ' ' THR . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.675 HG23 HG12 ' A' ' 34' ' ' VAL . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 36' ' ' THR . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD13 HG22 ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HG23 ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD12 ' OG1' ' A' ' 65' ' ' THR . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.529 ' OG1' HD12 ' A' ' 61' ' ' LEU . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.783 HG22 HD13 ' A' ' 46' ' ' LEU . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' ' 93' ' ' PRO . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.665 ' HB2' HG23 ' A' ' 79' ' ' ILE . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 70' ' ' TYR . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 17' ' ' TYR . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG12 HG23 ' A' ' 36' ' ' THR . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.662 HG23 HG12 ' A' ' 34' ' ' VAL . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 80' ' ' VAL . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.412 HG23 ' CG1' ' A' ' 68' ' ' VAL . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 68' ' ' VAL . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 30' ' ' SER . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.584 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 HG23 ' A' ' 95' ' ' THR . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 48' ' ' VAL . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 77' ' ' VAL . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 20' ' ' GLY . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' PRO . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 95' ' ' THR . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 77' ' ' VAL . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 94' ' ' PHE . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' C ' HG23 ' A' ' 98' ' ' ILE . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' HD3' ' A' ' 75' ' ' PRO . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.857 HD13 ' CG2' ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 80' ' ' VAL . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 48' ' ' VAL . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.857 ' CG2' HD13 ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.503 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 48' ' ' VAL . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.78 HG23 HD21 ' A' ' 46' ' ' LEU . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' C ' ' A' ' 25' ' ' ARG . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 96' ' ' VAL . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.529 HG21 ' HD3' ' A' ' 75' ' ' PRO . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 34' ' ' VAL . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 48' ' ' VAL . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 68' ' ' VAL . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.529 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 95' ' ' THR . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.564 HG23 HG13 ' A' ' 77' ' ' VAL . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 96' ' ' VAL . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' C ' HG23 ' A' ' 98' ' ' ILE . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.538 HG21 ' HD3' ' A' ' 75' ' ' PRO . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 HG23 ' A' ' 36' ' ' THR . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG12 ' A' ' 34' ' ' VAL . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 80' ' ' VAL . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.566 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.419 ' OG1' HD12 ' A' ' 61' ' ' LEU . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.641 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 48' ' ' VAL . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 HG13 ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' LEU . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.503 HG23 ' C ' ' A' ' 25' ' ' ARG . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 32' ' ' PHE . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 80' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 56' ' ' ILE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.586 HG13 HG23 ' A' ' 95' ' ' THR . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 93' ' ' PRO . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 48' ' ' VAL . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HB2' HG23 ' A' ' 79' ' ' ILE . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 77' ' ' VAL . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CD ' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' HD21 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 68' ' ' VAL . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 80' ' ' VAL . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 48' ' ' VAL . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.521 ' HD2' HG12 ' A' ' 48' ' ' VAL . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.468 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.2 m-70 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 21' ' ' LEU . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.501 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 82' ' ' THR . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 HG21 ' HD3' ' A' ' 75' ' ' PRO . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG12 HG23 ' A' ' 36' ' ' THR . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.583 HG23 HG12 ' A' ' 34' ' ' VAL . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 48' ' ' VAL . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.593 HG21 HD12 ' A' ' 46' ' ' LEU . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' HD12 ' A' ' 61' ' ' LEU . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG22 HD13 ' A' ' 46' ' ' LEU . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' HD2' HG12 ' A' ' 48' ' ' VAL . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 48' ' ' VAL . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.572 HG21 HG11 ' A' ' 16' ' ' VAL . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.711 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' CB ' HH11 ' A' ' 19' ' ' ARG . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.607 ' C ' HG23 ' A' ' 98' ' ' ILE . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.506 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 16' ' ' VAL . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.559 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.53 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.607 HG23 ' C ' ' A' ' 25' ' ' ARG . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.633 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.659 HG12 HG23 ' A' ' 36' ' ' THR . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.659 HG23 HG12 ' A' ' 34' ' ' VAL . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 80' ' ' VAL . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 35' ' ' ASP . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 95' ' ' THR . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' HD2' HG12 ' A' ' 48' ' ' VAL . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 48' ' ' VAL . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.454 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG13 ' A' ' 77' ' ' VAL . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 96' ' ' VAL . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.488 HG21 ' HD3' ' A' ' 75' ' ' PRO . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 HG23 ' A' ' 36' ' ' THR . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HG21 ' A' ' 36' ' ' THR . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.554 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.488 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 93' ' ' PRO . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 48' ' ' VAL . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' LEU . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.404 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -75.75 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -52.11 140.36 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -132.05 2.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -38.86 147.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -71.26 130.24 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' TYR . . . -114.63 44.17 1.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mt -46.61 141.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.45 -157.22 10.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.66 123.48 22.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.12 -42.81 40.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.13 -25.77 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -87.01 -31.84 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 134.35 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -115.3 149.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.39 124.57 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -143.44 157.79 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.41 -138.55 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -124.42 -29.58 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.26 28.55 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 32' ' ' PHE . 50.7 mt -122.88 -18.89 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -116.23 -64.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.09 -179.47 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.34 178.04 47.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -147.93 154.36 40.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -65.64 152.57 43.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 48.29 42.24 17.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -141.33 115.53 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -59.19 111.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 58.8 m -119.39 110.03 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -116.92 176.51 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 21' ' ' LEU . 39.4 p90 -160.17 160.81 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.0 mm -95.46 149.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 16' ' ' VAL . 21.9 t -127.56 97.34 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 5.7 t70 -72.19 111.98 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 44' ' ' ILE . 1.6 p -120.1 -18.47 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 63' ' ' ASP . 35.4 ptt180 -57.39 -32.5 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.75 -55.99 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.2 -121.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.2 t80 -128.43 168.47 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.951 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.72 166.44 10.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.19 133.87 12.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 36' ' ' THR . 65.4 mt -101.15 129.61 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -112.72 126.0 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' CD1' HG21 ' A' ' 58' ' ' THR . 5.9 mt -119.99 136.78 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.28 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 80' ' ' VAL . 56.8 t -102.21 121.13 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -117.95 108.28 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.46 -157.76 7.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -9.43 26.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -159.63 172.41 17.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -80.99 140.52 35.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.7 m -135.97 132.6 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.39 150.5 48.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 mt -132.24 113.39 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -110.78 124.54 52.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' LEU . 40.5 p -120.33 156.42 31.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -161.25 141.95 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.34 116.67 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 47.8 mt -79.87 172.66 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.45 -30.84 68.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.1 m-20 -70.72 -17.72 62.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.7 1.52 52.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 28.6 p -95.61 165.82 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.92 133.69 55.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' NZ ' HD21 ' A' ' 61' ' ' LEU . 7.7 ttpm? -110.72 108.98 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 10.7 t -85.57 141.5 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -135.93 138.02 41.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 31.9 p90 -145.77 162.55 37.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.6 t80 -132.22 100.67 15.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.81 143.57 51.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.2 p -118.33 -20.26 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 75' ' ' PRO . 57.6 t -132.64 135.52 26.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.4 Cg_endo -69.81 142.11 46.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.15 -145.88 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.09 109.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -96.43 115.12 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.61 104.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 48' ' ' VAL . 94.5 t -87.32 98.28 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -78.26 97.82 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -100.4 112.97 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.592 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 28.2 mtmt -122.75 151.27 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -146.43 115.42 6.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.5 41.86 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t0 65.09 43.18 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.9 123.46 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.85 133.47 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.3 156.88 0.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.82 -5.49 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.63 161.25 72.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.2 Cg_endo -69.69 171.72 52.06 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.394 -0.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -104.02 106.13 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -86.25 102.28 13.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.28 111.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -84.2 115.2 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 31.9 mm -94.45 138.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -112.12 132.96 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.79 -152.57 8.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -54.53 173.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.38 66.91 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -42.53 153.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -43.44 -39.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -154.9 152.68 30.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.3 t -104.69 -51.99 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.65 12.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.4 m -119.86 107.05 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -48.81 124.1 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -119.32 169.6 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -41.54 108.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 -177.33 51.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -111.01 171.08 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -83.07 -42.55 17.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 41' ' ' TYR . . . 169.62 -73.46 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.48 151.43 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.16 -144.99 8.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.34 118.33 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.47 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -54.38 -26.9 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -86.49 -26.92 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 143.59 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -119.0 152.72 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.674 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 16.7 m -137.76 129.8 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -147.89 148.91 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -139.93 6.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -128.05 -34.87 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 31.78 3.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 32' ' ' PHE . 83.8 mt -121.43 -27.92 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -110.41 -54.75 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -126.66 -177.82 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.32 176.69 45.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' HG23 ' A' ' 98' ' ' ILE . 4.0 mtt85 -146.86 153.11 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 HG23 ' HA2' ' A' ' 100' ' ' GLY . 78.2 p -67.01 146.23 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 57.25 26.76 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.98 119.91 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.62 109.59 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 7.8 m -113.99 106.48 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.39 169.83 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.653 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -155.46 152.74 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.3 mm -91.3 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 86.5 t -127.44 99.53 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 65' ' ' THR . 8.0 t0 -75.68 117.3 17.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.58 20.44 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -77.85 -44.4 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.14 -15.29 60.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.68 -61.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -125.17 3.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 1.6 t80 -118.38 -177.56 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 134.58 155.47 7.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.25 117.84 4.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -81.91 129.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 m -114.13 109.55 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -110.47 129.64 55.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.49 110.98 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 80' ' ' VAL . 86.3 t -97.02 123.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.07 103.01 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.66 -162.09 10.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 53.4 Cg_endo -69.73 -3.84 12.79 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -170.02 138.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -46.96 146.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -140.0 124.08 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.73 147.69 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 119.71 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.93 124.62 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -119.1 155.11 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -161.31 146.33 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.43 125.69 34.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.0 mt -94.88 174.72 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -10.62 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -98.52 11.19 39.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.36 58.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.3 p -94.19 172.48 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 119.22 30.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.49 103.33 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 20.4 t -83.16 142.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -138.2 133.0 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 33.4 p90 -143.27 160.28 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 21.2 t80 -131.07 99.25 18.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.9 p -120.78 -25.5 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 ' HD2' ' A' ' 75' ' ' PRO . 89.7 t -128.58 135.3 27.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 111.164 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.73 156.81 62.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.35 -134.77 4.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.95 112.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 51' ' ' PRO . 68.7 m-85 -101.3 115.28 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.0 mm -87.7 100.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 HG22 ' A' ' 48' ' ' VAL . 92.0 t -85.68 96.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -77.33 105.73 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m -109.53 111.28 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.602 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 30.5 mtmt -122.12 154.99 36.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 89.4 t80 -146.12 110.34 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 62.06 46.07 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.92 40.84 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -154.9 120.89 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.602 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 10.4 m-70 -73.67 133.4 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -50.36 158.69 0.97 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.153 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 81.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.96 -9.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -75.61 160.93 78.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.687 0.756 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.8 163.3 82.29 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.371 -0.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.674 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.8 m-85 -97.29 105.03 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.6 m -87.68 100.48 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.98 116.32 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -94.53 121.61 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 25' ' ' ARG . 47.1 mm -96.4 138.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -71.87 -68.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' A' ' 26' ' ' THR . . . 109.71 -106.7 2.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -77.58 58.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.06 -118.48 3.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -90.26 132.99 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.9 142.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -110.71 108.81 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -97.8 109.76 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -162.18 61.54 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 177.86 5.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.8 m -152.65 167.12 29.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.8 t -95.96 137.87 34.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -96.41 103.28 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -53.73 -44.58 70.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.65 72.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -136.15 110.42 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -137.03 159.12 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.27 159.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.8 pp -126.91 152.95 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.36 -165.55 13.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 2.3 m-20 -134.46 117.34 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -29.91 68.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -62.35 -39.4 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -72.87 -29.17 62.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.36 140.53 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -119.87 154.23 34.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.732 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 17.4 m -135.37 117.23 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.29 144.43 42.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.22 -150.69 17.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -116.18 -33.16 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.52 22.29 9.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.888 HD21 ' CD2' ' A' ' 32' ' ' PHE . 69.8 mt -113.58 -24.27 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -109.84 -59.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -123.95 -177.78 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.3 -179.87 44.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -148.13 161.17 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.484 HG21 ' HD3' ' A' ' 75' ' ' PRO . 65.6 p -73.52 157.45 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 4.1 m-85 51.78 26.71 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -133.43 116.73 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 ttm -65.51 112.61 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 72.7 m -113.0 111.38 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -112.27 172.94 6.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.888 ' CD2' HD21 ' A' ' 21' ' ' LEU . 46.2 p90 -160.22 165.53 31.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 33' ' ' ILE . 5.8 mm -100.25 153.78 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.68 HG12 HG23 ' A' ' 36' ' ' THR . 78.2 t -130.84 99.35 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -68.01 109.3 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.68 HG23 HG12 ' A' ' 34' ' ' VAL . 17.2 p -124.91 -20.63 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -50.65 -44.24 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -18.24 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 10' ' ' ASP . . . -79.59 -44.31 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.22 -114.18 1.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -140.74 163.39 33.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.65 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 151.49 157.71 8.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.94 124.34 14.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.8 mt -92.04 129.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -123.9 113.97 19.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 68' ' ' VAL . 26.2 mt -119.89 138.99 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.08 122.8 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 80' ' ' VAL . 24.9 t -106.29 132.64 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.92 125.37 41.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.51 -157.22 7.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -12.09 32.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 p -145.4 176.72 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 135.11 35.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -125.73 138.66 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -82.33 114.35 20.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mm -87.28 119.62 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -121.49 123.11 41.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 p -114.52 164.66 13.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 4.2 tm-20 -159.8 144.9 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' C ' ' OE2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -91.62 104.38 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.73 -176.57 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.01 -29.96 24.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.68 -22.53 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.0 14.08 29.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 35' ' ' ASP . 53.7 p -102.48 169.95 8.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 51.4 t -112.05 116.49 30.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 105.09 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 46' ' ' LEU . 15.2 t -86.83 144.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -140.71 129.08 22.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 30' ' ' SER . 33.5 p90 -140.49 155.02 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 32.0 t80 -129.07 99.09 22.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.71 161.32 46.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 p -126.72 -33.68 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 75' ' ' PRO . 85.6 t -117.82 134.16 23.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.76 138.33 37.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.02 -139.43 5.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.2 t -124.44 113.35 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -99.25 135.86 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.18 103.71 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 48' ' ' VAL . 99.7 t -85.87 97.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -81.09 97.37 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -97.35 115.04 26.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.538 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 29.3 mtmt -124.99 148.6 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 48.4 t80 -146.43 105.77 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 71.99 45.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.66 42.4 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -157.91 122.92 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.538 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.3 m-70 -72.93 133.59 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -47.2 156.55 0.58 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.58 -5.99 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.32 161.4 75.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 172.76 47.38 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.381 -0.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -105.73 109.71 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.4 m -84.02 113.51 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.5 t -109.7 120.04 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -90.84 105.79 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 22.9 mm -93.98 122.84 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.5 m -101.2 142.65 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -135.18 71.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -118.15 -53.19 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.27 77.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ptt-85 -57.72 160.64 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.51 124.46 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.79 -42.47 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -40.42 108.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 124.82 76.38 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.17 69.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -126.65 89.72 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -63.76 162.34 13.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 160.6 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.344 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -114.79 130.28 56.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 170.75 37.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -89.13 166.52 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -81.3 119.22 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.02 138.35 2.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.06 153.71 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.05 167.85 36.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -128.78 115.55 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.11 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -16.8 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.21 -21.23 20.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.52 150.25 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -128.7 159.54 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -146.33 118.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.23 143.15 44.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.41 -178.45 38.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 7.6 ttm105 -84.57 -29.42 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.66 11.03 21.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -118.05 -24.53 7.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -97.0 -64.54 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -129.56 179.26 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.76 174.54 46.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -147.73 161.19 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -70.12 149.25 47.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 7.0 m-85 52.56 39.22 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.82 115.65 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.4 107.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.9 m -110.7 111.99 23.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -118.21 177.68 4.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.75 ' CG ' HD21 ' A' ' 21' ' ' LEU . 48.9 p90 -161.89 165.6 27.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 34' ' ' VAL . 6.1 mm -98.49 156.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG12 HG23 ' A' ' 36' ' ' THR . 55.0 t -134.69 99.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 65' ' ' THR . 9.6 t0 -71.91 107.02 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.584 HG23 HG12 ' A' ' 34' ' ' VAL . 6.0 p -125.21 -2.19 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -73.49 -31.6 63.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.96 -14.15 48.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.58 -61.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.21 -107.73 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -152.82 162.84 40.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.43 164.91 11.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.13 118.67 5.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.439 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.1 mt -87.9 129.5 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -115.88 117.3 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.873 HD13 HG22 ' A' ' 68' ' ' VAL . 11.3 mt -125.35 129.42 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.55 118.6 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 80' ' ' VAL . 93.7 t -91.88 125.77 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -119.84 111.98 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.7 -157.91 7.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.42 10.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -154.09 -177.59 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -100.39 134.98 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.57 141.16 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.77 115.29 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.3 mm -92.73 119.54 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -118.53 126.22 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -117.4 156.77 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -155.78 139.33 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.19 113.69 21.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.36 177.56 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.77 -24.11 44.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.02 -19.7 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.19 53.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 35' ' ' ASP . 59.7 p -104.33 159.36 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 0.0 111.144 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -106.8 123.14 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -102.44 106.49 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.873 HG22 HD13 ' A' ' 46' ' ' LEU . 20.0 t -80.64 148.02 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -141.96 132.44 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 39.6 p90 -147.11 151.59 37.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 22.1 t80 -123.61 99.21 39.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.707 0.765 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.85 152.92 68.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.7 p -124.58 -27.66 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 75' ' ' PRO . 93.8 t -118.94 133.4 23.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.77 141.9 46.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.53 -151.39 22.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.65 112.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -100.31 120.4 39.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mm -89.65 113.39 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 48' ' ' VAL . 72.0 t -93.63 101.23 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 m -77.55 101.04 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.429 HG23 HD21 ' A' ' 46' ' ' LEU . 2.0 m -103.26 110.78 22.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.612 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 27.1 mtmt -121.12 150.75 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -145.82 112.71 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.48 38.7 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t0 68.59 39.09 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -154.67 125.31 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -74.0 133.22 42.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -47.73 156.58 0.67 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.0 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.69 -5.48 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.3 m -76.49 161.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.81 173.86 43.09 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.309 0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -104.4 114.82 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.6 m -90.06 111.72 22.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.8 t -111.78 127.59 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -93.95 123.92 37.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 36.2 mm -110.1 121.18 62.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 157.1 17.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.81 58.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.38 113.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.3 105.14 2.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -105.92 137.26 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' LYS . 90.4 t -57.6 109.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' VAL . 6.6 ttpm? -35.17 127.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -90.67 150.87 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.84 82.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.76 -6.94 19.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 108' ' ' PRO . 38.5 p 34.79 45.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -102.61 84.85 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.28 42.74 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -50.11 135.19 21.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.51 -39.23 87.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -114.44 115.87 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -140.24 140.23 35.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.97 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.4 pp -89.67 138.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.08 -178.57 15.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -135.65 105.64 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.32 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -45.84 -36.8 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -74.91 -33.39 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 132.29 51.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -114.09 154.27 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 m -135.59 126.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 33' ' ' ILE . 4.7 p90 -143.52 136.38 27.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.4 -149.69 9.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -121.23 -27.6 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 20.23 33.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 32' ' ' PHE . 83.7 mt -108.9 -33.58 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -102.58 -55.97 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.91 -179.1 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 173.84 176.04 41.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtm-85 -147.74 161.36 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.525 HG21 ' HD3' ' A' ' 75' ' ' PRO . 75.1 p -76.05 147.47 38.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 60.63 26.15 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -130.12 116.88 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.4 106.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 19.9 m -107.76 117.47 34.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.72 162.61 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.804 ' CD2' HD21 ' A' ' 21' ' ' LEU . 30.0 p90 -148.29 162.9 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.2 mm -97.1 153.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 36' ' ' THR . 70.9 t -130.41 99.61 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.09 109.14 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 HG12 ' A' ' 34' ' ' VAL . 23.6 p -124.58 -17.26 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -54.34 -30.29 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.25 -20.42 41.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.2 -53.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.85 -111.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 54.7 t80 -146.89 161.59 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.85 162.76 11.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.87 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' LYS . 38.9 mt -98.39 136.17 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -125.18 119.36 28.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 68' ' ' VAL . 8.9 mt -121.66 127.13 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.23 114.23 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 80' ' ' VAL . 42.8 t -91.83 124.07 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.62 113.51 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -142.06 -157.87 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -158.67 174.45 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 131.02 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 2.2 m -125.24 120.35 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.97 111.07 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.48 118.45 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -115.3 125.21 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.5 p -117.95 158.48 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -161.24 131.85 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.42 125.42 29.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.98 172.02 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.02 -28.09 67.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -15.52 62.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.04 10.54 58.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.6 p -100.44 169.76 8.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 111.112 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.0 m -113.37 123.54 50.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -102.44 106.77 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 46' ' ' LEU . 14.5 t -81.46 143.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -138.56 130.11 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 23.6 p90 -145.18 147.96 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 24.9 t80 -120.53 99.15 47.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.9 Cg_endo -69.73 151.49 69.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.82 -44.02 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.453 HG13 ' HD2' ' A' ' 75' ' ' PRO . 86.2 t -109.33 133.88 20.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.525 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.71 150.18 68.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.28 -138.35 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 95' ' ' THR . 75.7 t -119.58 104.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 57.1 m-85 -95.44 119.7 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.27 110.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 48' ' ' VAL . 69.0 t -87.86 101.22 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -78.72 98.22 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -101.25 117.14 34.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' CE ' ' NE2' ' A' ' 88' ' ' HIS . 26.6 mttt -123.0 150.52 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 39.6 t80 -145.91 105.61 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 67.05 46.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.046 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 61.31 44.28 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -160.34 127.57 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.504 ' NE2' ' CE ' ' A' ' 83' ' ' LYS . 13.2 m-70 -74.21 132.21 41.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.03 157.18 0.66 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.619 0.723 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 82.97 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.09 -4.27 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -79.2 161.74 66.77 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.683 0.754 . . . . 0.0 110.845 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.0 42.52 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.307 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.4 m-85 -107.15 110.21 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 77' ' ' VAL . 27.0 m -87.24 106.19 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.66 117.46 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -86.57 107.56 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 49.3 mm -94.51 128.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.1 t -98.92 165.11 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . -103.47 -145.97 15.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' GLY . 33.7 mt-10 -35.83 143.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.93 104.49 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -136.9 153.43 50.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 p -72.24 144.29 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -85.35 87.22 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -66.5 -60.13 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.94 77.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.96 32.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.1 p -142.79 144.15 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p -52.12 111.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.9 m -37.48 106.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -45.89 -51.82 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.3 110.04 2.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -54.97 -37.8 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -86.89 109.72 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 19.41 13.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 26.7 mm -63.38 141.75 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.87 -143.86 14.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 12' ' ' ARG . 31.1 t0 -145.43 120.17 9.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.11 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CD ' ' OD2' ' A' ' 10' ' ' ASP . 28.0 ptt180 -55.42 -21.16 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -91.81 -26.53 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.89 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -107.99 152.36 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 27.3 m -139.07 122.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 33' ' ' ILE . 4.5 p90 -138.76 137.48 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -168.93 42.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -19.8 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 25.78 22.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 32' ' ' PHE . 93.7 mt -115.57 -31.23 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -104.51 -66.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -177.8 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.95 172.48 44.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' ILE . 22.9 mtt85 -145.05 157.71 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 9.2 p -71.53 146.86 48.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 4.0 m-85 55.72 26.47 9.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -124.38 115.69 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpt -60.22 107.1 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 5.0 m -107.07 108.37 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.88 163.56 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 21' ' ' LEU . 43.5 p90 -152.64 159.54 43.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HB ' ' CE1' ' A' ' 17' ' ' TYR . 7.1 mm -98.53 148.87 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 50.8 t -124.35 101.55 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.4 OUTLIER -76.06 113.66 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 34' ' ' VAL . 14.5 p -121.1 23.54 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -80.34 -42.45 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.97 -7.0 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.78 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.18 -117.72 3.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -117.09 169.75 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 146.02 134.39 2.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.11 120.81 21.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.5 mt -85.32 128.77 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -114.81 109.74 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.19 136.39 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.01 110.28 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 80' ' ' VAL . 67.5 t -94.03 127.11 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -122.24 102.55 8.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -130.65 -163.95 11.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -160.37 176.93 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 3.6 tmmm? -81.61 139.15 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -134.12 128.99 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -61.84 152.99 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.6 mt -135.91 114.67 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -110.78 121.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -120.74 152.89 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -161.35 152.88 19.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.92 122.47 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.98 171.47 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.95 -9.33 51.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.1 5.73 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.97 27.03 73.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 35' ' ' ASP . 66.9 p -114.46 166.27 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.6 t -115.04 118.02 32.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -95.41 100.62 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 19.1 t -81.1 134.58 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -131.89 133.74 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 22.4 p90 -144.07 152.25 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 15.7 t80 -122.2 99.79 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 144.04 52.74 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -120.36 -29.81 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.85 129.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.691 0.758 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.63 -134.77 3.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -125.79 109.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 68.0 m-85 -98.19 115.25 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.51 102.14 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 HG22 ' A' ' 48' ' ' VAL . 88.1 t -86.49 96.49 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -77.24 97.97 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 112.1 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 5.2 mtmp? -122.25 151.07 41.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -146.45 114.87 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB1' ' CG2' ' A' ' 8' ' ' ILE . . . 64.42 40.25 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.02 38.87 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -153.61 126.41 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.532 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.3 m-70 -74.74 132.44 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -47.43 157.27 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 80.57 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.7 -7.62 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -75.54 161.48 76.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.4 Cg_endo -69.79 169.52 63.04 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.323 0.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.1 m-85 -101.73 108.28 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -91.43 104.06 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.27 114.07 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -89.27 111.21 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.418 HG23 ' CA ' ' A' ' 25' ' ' ARG . 47.2 mm -89.45 127.11 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 m -63.85 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 116.56 -135.97 12.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.39 136.59 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.74 130.26 4.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -143.73 155.9 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.49 142.71 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -122.59 167.35 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.6 p -54.86 -59.91 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.82 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 90.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.362 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -137.92 154.96 49.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -57.56 122.15 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -67.46 133.78 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -43.67 120.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 -160.46 28.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -104.15 85.12 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.863 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.3 110.91 5.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.62 -46.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -122.19 -178.36 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -172.2 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -141.3 108.27 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.23 -39.38 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -58.12 -25.1 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 39' ' ' ALA . 12.3 mmm180 -87.54 -20.95 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.62 136.84 49.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.91 155.26 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 HG22 ' A' ' 34' ' ' VAL . 3.9 m -141.27 120.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.5 p90 -133.99 145.35 49.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.83 -156.69 28.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -116.92 -30.76 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.07 23.47 5.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 32' ' ' PHE . 88.9 mt -113.93 -31.85 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -101.7 -59.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -178.28 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.1 47.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -148.17 151.15 35.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 75' ' ' PRO . 58.8 p -64.38 157.11 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 6.2 m-85 46.88 36.28 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -139.54 116.84 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.5 118.69 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 73.1 m -122.8 105.3 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 164.36 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 21' ' ' LEU . 42.6 p90 -148.61 160.91 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.9 mm -96.42 152.6 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.571 HG22 HG12 ' A' ' 16' ' ' VAL . 41.3 t -130.11 105.21 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.02 106.91 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' VAL . 6.7 p -118.98 -22.8 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -55.53 -24.48 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -84.13 -26.87 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 13' ' ' ARG . . . -75.74 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.92 -114.05 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -143.03 156.8 44.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 153.34 171.99 21.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.08 129.46 9.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.76 140.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 m -128.24 120.84 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.49 144.76 45.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 118.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 HD11 ' A' ' 56' ' ' ILE . 60.3 t -101.41 129.52 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -124.46 106.3 10.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.72 -162.17 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.04 27.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.752 2.301 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -157.05 153.86 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -66.97 140.63 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.12 121.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.43 153.03 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 HG23 ' A' ' 48' ' ' VAL . 18.3 mt -133.69 114.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -105.54 123.31 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -116.14 154.22 30.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -160.78 135.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.16 118.1 22.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.0 mt -83.15 -177.75 6.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -76.59 -33.9 58.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -13.47 62.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.24 13.62 57.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.5 p -97.58 171.66 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.99 115.47 23.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -97.62 104.32 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 56' ' ' ILE . 20.2 t -82.62 144.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -139.03 135.37 34.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 72' ' ' PRO . 35.9 p90 -142.16 157.52 44.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 26.2 t80 -125.85 99.13 32.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.52 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 54.2 Cg_endo -69.75 144.33 53.76 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.6 p -122.91 -18.65 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.9 t -131.69 129.29 22.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.643 0.735 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.9 Cg_endo -69.78 152.6 69.22 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.53 -129.82 2.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.85 118.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -107.19 126.12 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.14 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.8 t -86.73 97.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -79.3 99.41 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -101.73 109.9 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.609 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 5.7 mtmp? -117.41 153.82 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -146.48 117.61 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 56.41 42.74 27.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 65.59 42.5 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -157.89 124.4 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.609 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.3 m-70 -73.97 132.9 42.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.28 157.25 0.9 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.066 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.84 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 143.84 -5.67 1.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.4 m -77.19 161.16 74.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.857 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.72 170.12 59.82 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.386 -0.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.7 m-85 -102.62 106.27 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -85.63 107.54 17.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.3 t -103.98 116.14 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.32 124.65 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.9 mm -104.37 131.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.4 t -77.27 -69.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.98 -102.09 0.73 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 41.48 38.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.83 -144.62 15.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -137.29 147.89 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 m -42.15 152.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -54.05 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t -114.35 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.85 89.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.18 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.9 m 54.3 49.91 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t -80.5 96.33 6.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.35 128.97 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -54.62 121.48 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -73.81 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.39 -55.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -38.81 157.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.53 81.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.0 pt -125.92 151.45 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -152.12 -176.49 24.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -126.52 109.51 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.07 73.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 mtt-85 -52.62 -16.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -99.15 -34.51 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 125.17 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.04 155.44 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 19.7 m -140.85 118.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 33' ' ' ILE . 9.4 p90 -140.61 139.48 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.09 -145.28 8.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -122.91 -24.95 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.41 22.51 29.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 32' ' ' PHE . 48.4 mt -113.58 -29.36 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -101.93 -62.44 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -128.03 -177.78 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.68 178.29 48.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -148.26 156.64 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 HG21 ' HD3' ' A' ' 75' ' ' PRO . 82.0 p -67.66 149.8 49.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 m-85 55.37 30.78 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -133.0 115.34 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.91 111.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 12.8 m -112.57 101.51 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -111.38 154.55 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 p90 -138.22 167.59 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.0 mm -100.04 151.33 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG12 HG23 ' A' ' 36' ' ' THR . 30.2 t -130.93 97.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -79.54 119.45 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 34' ' ' VAL . 40.7 p -133.07 28.89 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -86.69 -48.33 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -71.15 -22.58 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.48 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.1 -127.6 3.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLY . 9.9 t80 -124.85 169.9 11.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 110.927 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 143.36 141.92 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.57 117.66 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.534 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.5 133.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -115.49 116.8 28.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD13 ' CG2' ' A' ' 68' ' ' VAL . 8.6 mt -124.14 129.23 50.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.99 112.31 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 HD11 ' A' ' 56' ' ' ILE . 77.8 t -82.85 124.36 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.48 99.95 7.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.549 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -130.28 -160.72 10.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.39 4.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 173.55 16.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -95.18 129.63 42.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -122.15 132.17 71.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.85 108.9 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 48' ' ' VAL . 10.3 mm -81.51 117.5 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -110.36 130.02 55.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.8 p -120.94 157.65 29.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -160.24 137.21 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.34 120.58 26.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' OG1' ' A' ' 65' ' ' THR . 91.9 mt -86.66 -178.3 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -83.82 -35.04 24.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -64.96 -21.03 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.03 28.5 6.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 61' ' ' LEU . 28.3 p -120.93 171.34 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.9 m -118.59 126.17 51.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -106.96 104.21 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.797 ' CG2' HD13 ' A' ' 46' ' ' LEU . 27.9 t -77.7 146.5 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -139.43 125.26 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 29.1 p90 -138.66 147.49 42.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 20.0 t80 -120.34 99.14 48.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.82 156.04 64.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.7 p -128.23 -32.7 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.18 126.7 27.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.5 Cg_endo -69.74 139.58 40.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.05 -138.51 5.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.0 t -115.18 117.73 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 61.8 m-85 -108.51 118.74 37.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -89.46 109.1 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 48' ' ' VAL . 71.5 t -89.09 99.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.63 96.79 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -100.53 109.08 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 22.1 mtmt -122.34 151.46 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.6 t80 -146.5 105.97 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.552 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.27 40.81 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.35 38.43 3.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -151.6 121.25 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.57 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.81 132.11 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -45.41 156.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.68 -8.13 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -73.43 161.51 78.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.703 0.764 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.68 169.02 65.04 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.397 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.6 m-85 -103.12 106.43 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 m -83.93 106.63 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.11 104.39 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -77.47 113.56 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 45.8 mm -95.76 128.99 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 m -100.04 131.41 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.97 99.28 1.06 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -153.95 174.09 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.32 118.91 2.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.57 138.88 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -44.19 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -105.53 141.98 36.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -95.11 148.13 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.31 75.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.89 15.48 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.306 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 p -134.55 126.54 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t 70.55 42.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -169.95 140.59 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -58.92 -59.09 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.96 169.21 34.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -62.95 142.22 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 81.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.61 136.64 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.78 162.44 16.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 3.7 t70 -111.14 130.05 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.89 -19.63 52.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -67.41 -40.2 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 1.6 mpt_? -77.73 -20.82 52.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 39' ' ' ALA . . . -69.62 132.29 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -111.78 164.3 13.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.524 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.1 m -147.75 121.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -133.75 139.87 46.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.14 -171.18 39.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -99.54 -20.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 34.75 4.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 32' ' ' PHE . 76.6 mt -127.4 -30.14 2.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.2 t -110.08 -73.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -103.29 -178.47 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.98 176.41 46.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -147.05 149.87 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' HA2' ' A' ' 100' ' ' GLY . 34.9 p -65.38 149.31 50.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' C ' ' CZ ' ' A' ' 71' ' ' PHE . 10.7 m-85 51.36 37.61 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -136.43 117.73 14.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpt -60.69 106.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 33.1 m -104.66 107.28 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.94 154.91 26.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.593 ' CD1' HD21 ' A' ' 21' ' ' LEU . 43.7 p90 -146.66 153.96 40.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 17' ' ' TYR . 6.1 mm -90.23 149.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 36' ' ' THR . 40.3 t -125.61 111.0 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 102.07 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.675 HG23 HG12 ' A' ' 34' ' ' VAL . 29.9 p -116.1 -19.69 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -50.1 -45.88 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.03 -24.8 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . . . -72.2 -37.2 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.12 -122.5 3.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -144.82 153.1 41.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.11 173.52 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.77 138.89 21.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 36' ' ' THR . 85.8 mt -109.92 127.57 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -110.79 112.25 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD13 HG22 ' A' ' 68' ' ' VAL . 12.5 mt -119.09 118.44 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 118.64 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 56' ' ' ILE . 52.6 t -93.96 130.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -123.74 102.78 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.3 -157.08 8.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.6 10.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -154.1 177.71 10.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -95.56 131.31 41.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -126.71 114.64 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.56 109.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HG23 ' A' ' 48' ' ' VAL . 6.0 mm -82.9 117.88 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -109.46 131.0 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -127.81 152.18 48.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -161.31 127.68 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.65 123.84 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD12 ' OG1' ' A' ' 65' ' ' THR . 84.1 mt -80.13 172.34 13.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.85 -33.46 72.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.3 -23.2 59.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.61 -20.02 10.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.529 ' OG1' HD12 ' A' ' 61' ' ' LEU . 15.7 p -75.62 174.87 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.105 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.14 131.56 53.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -106.99 105.17 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.783 HG22 HD13 ' A' ' 46' ' ' LEU . 98.0 t -75.42 146.29 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.36 128.56 20.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 20.1 p90 -141.88 148.13 38.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' ' C ' ' A' ' 27' ' ' PHE . 19.4 t80 -120.62 99.27 47.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.543 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 152.0 69.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -123.53 -29.12 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 75' ' ' PRO . 98.4 t -124.16 132.84 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.74 156.57 63.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.79 -132.61 4.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 95' ' ' THR . 58.9 t -123.84 112.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.15 116.26 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' ' 93' ' ' PRO . 6.0 mm -88.64 105.04 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -86.12 101.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.0 p -77.4 96.2 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -103.47 113.56 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.2 mtmt -126.47 152.24 46.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -146.35 108.53 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 66.6 45.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.36 45.72 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -161.74 122.53 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 9.6 m-70 -73.94 137.36 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.24 158.96 3.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 85.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.4 -2.76 2.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.5 m -83.18 160.81 59.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.873 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.665 ' HB2' HG23 ' A' ' 79' ' ' ILE . 54.5 Cg_endo -69.69 145.59 79.7 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.353 -0.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.5 m-85 -77.87 112.45 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 77' ' ' VAL . 7.4 m -91.8 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -107.14 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -87.7 119.77 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.11 134.41 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.2 m -64.55 -69.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 26' ' ' THR . . . 104.9 -66.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -82.36 152.57 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 103' ' ' ARG . . . 93.94 96.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 102' ' ' GLY . 1.2 mpp_? -129.66 109.8 11.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.4 p -60.68 139.36 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.48 122.36 31.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.2 t -165.45 136.15 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 108' ' ' PRO . . . 175.86 95.89 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 107' ' ' GLY . 54.3 Cg_endo -69.74 117.4 5.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 m -86.7 178.27 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -135.51 177.23 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -74.16 92.37 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.3 165.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.55 155.41 8.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -113.74 126.65 55.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -106.53 105.13 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.646 ' O ' HD13 ' A' ' 8' ' ' ILE . . . 175.81 -65.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 7' ' ' GLY . 11.3 mm -138.76 140.29 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.085 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.94 -148.79 11.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -140.05 116.59 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.53 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -47.43 -23.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -90.45 -32.94 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 150.61 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.1 mtmt -126.62 151.42 48.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 8.5 m -135.09 133.85 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -147.77 133.43 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.73 -151.39 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -114.82 -48.7 2.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -57.16 -11.05 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.1 -29.45 16.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -97.75 -55.06 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.83 -177.84 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.07 177.12 48.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -146.76 155.04 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.4 p -67.53 147.72 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 4.5 m-85 54.14 28.17 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -125.35 115.33 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 70' ' ' TYR . 2.6 tpt -64.33 107.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -99.58 144.89 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.93 159.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 18.5 p90 -156.23 156.19 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 17' ' ' TYR . 4.7 mm -92.88 151.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG12 HG23 ' A' ' 36' ' ' THR . 53.8 t -129.02 97.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.2 t0 -70.62 114.97 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.662 HG23 HG12 ' A' ' 34' ' ' VAL . 77.3 p -130.16 21.7 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -81.25 -45.52 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -22.73 61.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.9 -60.16 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.85 -125.02 2.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -133.76 -176.32 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.926 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.45 168.62 11.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.62 117.69 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.2 mt -85.57 127.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 m -110.8 114.49 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.11 129.64 55.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.13 108.39 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 80' ' ' VAL . 77.1 t -91.28 125.02 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.04 100.35 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -126.81 -163.38 11.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.28 4.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 t -167.22 173.82 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -81.15 136.61 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.8 m -133.77 115.56 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -54.15 154.18 4.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.412 HG23 ' CG1' ' A' ' 68' ' ' VAL . 22.5 mt -135.55 113.49 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.25 128.83 55.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 68' ' ' VAL . 51.7 p -121.93 157.67 30.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -160.86 137.94 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.86 125.74 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.9 -177.46 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.06 -32.73 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.2 -18.36 65.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.1 15.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 p -116.13 169.83 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -111.67 119.79 39.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -101.03 106.15 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 26.2 t -90.29 148.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 m -141.13 136.25 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 30' ' ' SER . 32.1 p90 -142.53 151.75 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 38.4 t80 -121.76 99.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.584 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.8 149.58 66.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.2 p -124.98 -19.45 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.7 t -131.14 128.18 22.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.89 58.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.28 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 160.61 -135.32 3.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 HG23 ' A' ' 95' ' ' THR . 87.5 t -125.57 106.08 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.2 m-85 -94.3 127.87 40.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -96.18 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 48' ' ' VAL . 76.6 t -86.47 99.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -83.22 98.25 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -97.26 114.11 25.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 21.0 mtmt -122.6 150.02 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -146.2 113.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 8' ' ' ILE . . . 62.78 43.19 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t0 64.02 41.66 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -155.02 125.82 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 6.9 m-70 -75.08 131.93 40.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.2 m -46.22 156.09 0.5 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 84.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.227 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.66 -1.11 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -77.23 161.85 71.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.74 176.17 33.58 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.0 m-85 -108.6 110.21 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 77' ' ' VAL . 58.2 m -89.98 105.2 17.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 20' ' ' GLY . 42.3 t -98.57 117.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -90.84 121.28 32.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.31 134.58 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -74.71 -65.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . 87.76 -140.61 16.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' GLY . 70.4 mt-10 -37.45 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' GLY . . . -165.09 -53.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -49.47 106.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.0 m -64.9 149.12 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -113.56 164.36 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -128.65 114.29 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.2 83.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 147.99 63.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -59.34 116.37 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -68.35 -44.25 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -58.28 135.01 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.24 -178.22 18.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -143.98 138.92 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -38.58 -46.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.11 151.96 22.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -120.86 -179.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.52 -171.58 31.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.514 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.79 100.74 6.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.57 69.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -56.88 -23.9 47.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -90.58 -31.59 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.0 134.89 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -117.36 150.61 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 4.2 m -138.15 128.84 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 33' ' ' ILE . 4.4 p90 -142.61 140.39 31.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.62 -173.81 38.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -98.04 -31.85 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.31 28.66 3.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD21 ' CD1' ' A' ' 32' ' ' PHE . 94.5 mt -119.05 -37.31 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -108.53 -61.1 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -107.15 -178.14 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.65 176.66 40.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -147.47 152.64 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' PRO . 77.7 p -66.41 148.68 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 m-85 52.52 36.24 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -136.39 115.84 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.57 106.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -109.94 105.22 14.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.84 160.41 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.832 ' CD1' HD21 ' A' ' 21' ' ' LEU . 50.7 p90 -145.23 157.86 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 17' ' ' TYR . 5.5 mm -91.08 149.42 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.82 97.87 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -78.47 108.42 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 p -123.37 -14.3 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -53.14 -48.69 67.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.27 -14.61 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.6 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.37 -107.37 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.589 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . 7.5 t80 -151.77 -175.44 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.6 150.93 6.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.83 118.55 10.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.14 128.32 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.7 m -112.54 111.71 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.34 129.38 56.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.56 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 56' ' ' ILE . 45.6 t -89.9 123.56 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.4 104.25 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.87 -163.86 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -1.52 8.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.369 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -167.91 150.28 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -64.04 132.27 50.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -127.12 118.29 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.07 150.4 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 48' ' ' VAL . 65.4 mt -134.94 117.18 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -111.4 122.53 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.4 p -113.16 155.53 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 4.7 tp10 -160.05 145.84 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 4.6 t0 -90.17 119.33 30.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.61 179.72 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.47 -32.9 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -67.54 -16.31 64.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.89 19.59 26.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.4 p -113.96 173.01 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.07 136.41 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -112.59 103.85 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 84.7 t -74.1 144.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -142.26 129.28 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 34.4 p90 -141.43 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.5 t80 -125.72 101.67 29.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.7 144.58 54.81 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -123.83 -19.06 5.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.85 128.16 19.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.7 Cg_endo -69.77 140.35 42.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.96 -138.31 5.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 95' ' ' THR . 76.6 t -120.68 106.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.75 123.38 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 mm -95.66 102.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.77 96.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m -77.14 96.59 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -100.26 108.02 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.541 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.8 mtmt -116.09 151.21 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CZ ' ' O ' ' A' ' 41' ' ' TYR . 60.8 t80 -146.34 109.33 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 67.52 47.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.061 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t0 59.17 40.7 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -156.85 126.49 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.541 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.8 m-70 -74.7 132.57 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -45.93 156.4 0.45 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.643 0.735 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 80.29 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 145.79 -7.03 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -74.59 161.46 77.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.75 172.63 48.09 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.352 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.4 m-85 -105.2 107.32 18.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 77' ' ' VAL . 86.8 m -85.11 114.64 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.3 t -106.88 107.35 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.89 106.28 15.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.3 mm -86.65 131.37 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 t -72.7 -71.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.99 44.85 54.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -106.38 38.18 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.22 -164.07 38.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -110.66 127.09 55.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.51 151.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -120.84 125.5 47.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -91.42 -64.9 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.98 86.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.68 24.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.8 t -87.48 111.27 21.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -81.0 -49.37 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -91.67 153.57 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -114.7 -48.63 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 76.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -67.74 118.94 11.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -54.24 151.76 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 -22.61 74.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -134.65 140.25 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 111.112 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.06 -175.83 19.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.34 112.5 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.48 -36.69 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -51.15 -40.67 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.8 -34.73 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 130.42 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -119.45 150.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 28.6 m -133.85 121.65 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.8 p90 -136.99 140.66 42.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.49 -143.0 7.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -122.33 -30.63 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' VAL . . . -81.44 21.52 6.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 94' ' ' PHE . 69.1 mt -114.72 -35.32 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -94.57 -69.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.05 -179.24 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.97 177.64 48.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' C ' HG23 ' A' ' 98' ' ' ILE . 18.8 mtp85 -147.55 175.06 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' HD3' ' A' ' 75' ' ' PRO . 57.9 p -82.68 160.43 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 35.9 m-85 40.13 30.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -124.58 115.41 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.9 107.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.5 m -114.09 113.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.51 164.97 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -147.45 156.8 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 mm -92.97 146.99 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.3 t -122.09 98.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' HA ' HG22 ' A' ' 65' ' ' THR . 53.0 t0 -77.69 96.72 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 p -122.48 11.44 9.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.59 -37.92 59.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.6 -31.35 59.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.02 64.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.94 -126.76 2.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -137.33 161.15 37.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.928 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.43 167.68 18.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.71 118.3 5.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.88 140.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -129.85 112.47 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.857 HD13 ' CG2' ' A' ' 68' ' ' VAL . 10.4 mt -120.33 122.49 40.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.12 117.12 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 80' ' ' VAL . 69.8 t -86.38 126.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -115.91 102.88 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -133.55 -165.59 11.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -0.53 7.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -156.89 163.53 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.0 129.17 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.58 137.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.98 117.09 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 48' ' ' VAL . 3.6 mm -93.65 108.82 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -105.88 131.63 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -130.42 155.19 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -159.93 135.68 8.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.17 117.32 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.1 -176.4 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.46 -17.89 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.23 -3.33 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.61 15.18 76.5 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 35' ' ' ASP . 76.4 p -111.4 166.86 10.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 t -113.79 128.16 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -107.06 113.01 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.857 ' CG2' HD13 ' A' ' 46' ' ' LEU . 38.4 t -91.74 142.03 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -137.19 137.35 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 38.0 p90 -146.41 148.43 32.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 24.1 t80 -116.14 99.19 52.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.3 Cg_endo -69.8 148.93 65.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.6 p -125.47 -29.23 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.77 126.06 26.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.503 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.79 141.9 46.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.17 -133.23 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.81 104.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 70.4 m-85 -94.67 125.86 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.97 106.87 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 HG22 ' A' ' 48' ' ' VAL . 78.5 t -86.53 98.12 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -78.57 97.37 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.78 HG23 HD21 ' A' ' 46' ' ' LEU . 3.5 m -100.17 115.7 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HE2' ' CD2' ' A' ' 88' ' ' HIS . 64.0 mttt -119.7 153.57 35.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -146.45 106.14 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.77 37.75 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.86 44.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -160.03 114.96 2.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 20.5 m-70 -60.94 131.69 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.12 158.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.16 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.43 0.49 2.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.85 161.68 49.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 171.88 51.85 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.301 0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 5.3 m-85 -104.86 110.3 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.6 m -87.76 106.9 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -106.99 113.19 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -83.88 120.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' C ' ' A' ' 25' ' ' ARG . 45.8 mm -104.99 122.45 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -95.93 155.92 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.11 42.02 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -90.56 85.19 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 53.28 -92.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -170.37 111.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.2 155.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.69 121.5 25.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 t -151.56 135.69 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 121.29 73.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.3 Cg_endo -69.75 -10.39 28.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' PRO . 10.0 m -36.62 120.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -64.61 95.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -85.8 131.22 34.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -68.11 124.93 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -50.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -74.08 176.29 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -100.96 55.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' HA3' ' CD2' ' A' ' 41' ' ' TYR . . . 52.36 102.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 pt -113.73 166.68 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 178.2 28.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 99.75 6.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.14 69.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -56.6 -27.19 57.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -83.99 -23.89 30.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.87 126.94 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -112.77 146.96 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 22.5 m -131.6 119.31 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' CE1' HG21 ' A' ' 33' ' ' ILE . 3.6 p90 -137.03 132.22 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.37 -145.15 7.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -124.11 -32.59 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.33 19.95 9.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 96' ' ' VAL . 87.8 mt -109.51 -40.09 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -94.7 -63.79 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.04 -177.88 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.39 179.6 46.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -148.19 155.48 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.529 HG21 ' HD3' ' A' ' 75' ' ' PRO . 70.4 p -66.48 157.06 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 49.9 m-85 45.47 29.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -128.57 115.11 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 ttm -63.09 110.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 66.8 m -114.92 107.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -110.27 164.95 12.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 40.8 p90 -148.4 164.46 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 17' ' ' TYR . 4.9 mm -100.29 150.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 71.4 t -126.41 100.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -78.9 109.14 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 34' ' ' VAL . 22.3 p -132.55 1.65 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.17 -32.32 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -100.73 17.78 21.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.58 -48.88 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.08 0.64 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.492 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 41.3 t80 -142.66 161.17 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.928 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.1 167.88 11.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.31 152.67 19.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -102.5 140.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 m -119.34 111.78 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.0 135.2 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.69 107.75 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -100.12 114.04 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.74 93.87 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -119.33 -159.13 10.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -163.68 173.42 12.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -83.38 130.02 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 48' ' ' VAL . 3.3 m -126.14 128.2 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 152.63 45.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 68' ' ' VAL . 9.9 mt -132.4 109.89 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -108.35 123.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.9 p -114.85 163.03 16.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -161.18 120.91 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.83 116.77 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.35 178.39 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -77.82 -32.51 52.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.25 -5.27 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.41 63.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -109.57 165.87 11.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -115.31 132.87 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.87 119.07 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 45.4 t -93.42 143.6 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 m -139.88 127.94 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 33.3 p90 -137.33 159.96 40.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 18.7 t80 -129.5 99.52 20.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.72 150.87 69.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.1 p -122.59 -33.41 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.51 131.25 24.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.529 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.1 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.394 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.14 -133.66 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 95' ' ' THR . 70.4 t -123.93 106.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 78.8 m-85 -95.49 118.14 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.9 mm -90.36 101.1 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -86.87 96.25 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -78.48 98.27 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -100.8 106.74 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -115.46 151.95 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -146.05 112.37 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.34 44.61 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 62.77 40.69 9.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -154.67 123.9 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 8.8 m-70 -75.03 131.82 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -46.71 156.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 137.48 1.65 2.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -82.78 162.0 56.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.752 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.6 Cg_endo -69.74 175.87 34.8 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.349 -0.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.9 m-85 -106.77 114.5 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.564 HG23 HG13 ' A' ' 77' ' ' VAL . 19.0 m -94.49 104.37 16.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 21' ' ' LEU . 46.0 t -96.44 113.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -86.39 113.29 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.4 mm -91.95 135.25 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -73.93 -66.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.3 -123.25 6.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.17 89.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.81 152.43 5.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -151.94 132.3 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 m -56.54 131.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -81.05 103.45 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 p -104.35 134.13 48.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.74 71.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.74 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' PRO . 94.2 p -37.79 111.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 151.03 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -116.12 155.5 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -119.85 149.39 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.14 -175.58 19.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 164.19 13.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -101.34 134.08 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 -130.72 10.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.9 -177.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 39' ' ' ALA . . . -110.9 -153.22 13.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -139.94 116.19 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.96 -40.09 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -51.81 -33.85 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.52 -34.61 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.32 123.52 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -111.97 149.04 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 29.9 m -133.69 127.85 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 2.0 p90 -144.94 122.66 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 32' ' ' PHE . . . -175.86 147.23 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.438 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -59.89 -26.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 -16.34 79.95 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 96' ' ' VAL . 35.8 mt -87.75 -33.17 18.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.7 -177.93 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 179.43 178.32 48.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' C ' HG23 ' A' ' 98' ' ' ILE . 58.3 mtm-85 -148.27 171.34 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.538 HG21 ' HD3' ' A' ' 75' ' ' PRO . 12.5 p -79.24 139.08 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 47.3 m-85 58.63 30.36 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -122.59 115.84 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.67 105.91 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -107.41 118.73 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.33 153.72 39.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 26.4 p90 -144.81 153.66 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.8 mm -90.32 153.08 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 HG23 ' A' ' 36' ' ' THR . 90.1 t -129.6 104.06 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.81 107.91 7.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG12 ' A' ' 34' ' ' VAL . 3.8 p -131.11 32.5 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -49.14 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.7 -0.33 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 9' ' ' GLY . . . -86.61 -46.63 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.94 -116.51 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -135.2 172.02 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 148.38 5.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.02 124.68 6.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -83.1 127.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -109.95 107.72 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.9 138.56 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.58 108.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 80' ' ' VAL . 99.8 t -90.65 121.57 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.99 98.86 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.34 -162.89 11.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.96 7.62 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -164.83 169.32 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -79.33 138.69 37.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 72' ' ' PRO . 2.9 m -133.19 113.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.61 152.38 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.566 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.0 mt -136.12 110.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -108.13 124.44 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 p -117.75 154.12 32.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -161.3 137.07 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.02 122.36 23.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.1 mt -90.13 -179.32 5.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.6 -40.0 64.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.08 -23.04 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.59 32.46 5.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.419 ' OG1' HD12 ' A' ' 61' ' ' LEU . 71.1 p -117.91 174.03 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.14 110.97 16.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -88.0 96.74 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 23.3 t -79.18 123.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.3 m -117.65 139.44 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 19.5 p90 -146.51 149.85 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CZ ' ' O ' ' A' ' 27' ' ' PHE . 10.5 t80 -120.18 99.37 48.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.641 ' HA ' HG12 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.78 151.97 69.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.5 p -124.99 -28.99 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.8 t -118.12 127.01 26.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HD3' HG21 ' A' ' 26' ' ' THR . 54.6 Cg_endo -69.71 139.19 39.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.12 -137.25 4.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 95' ' ' THR . 63.9 t -121.43 115.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 72.5 m-85 -103.1 120.7 41.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 mm -88.45 102.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 48' ' ' VAL . 79.7 t -86.04 98.61 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -81.59 97.27 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -97.3 112.44 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 21.7 mtmt -119.09 149.59 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 28.4 t80 -146.47 109.7 4.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 68.07 44.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 62.35 40.35 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -155.04 127.7 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.492 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.2 m-70 -75.86 131.16 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.99 155.8 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.91 1.86 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -80.69 161.72 62.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.69 177.79 27.48 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.348 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.2 m-85 -109.5 107.73 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 HG13 ' A' ' 77' ' ' VAL . 40.1 m -86.83 105.98 17.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' LEU . 93.5 t -101.96 127.33 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.503 HG23 ' C ' ' A' ' 25' ' ' ARG . 39.2 mm -106.36 119.75 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.9 m -90.92 144.36 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.17 56.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -99.42 162.22 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.81 109.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 104' ' ' VAL . 4.5 ppt_? -43.93 168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 93.5 t -44.48 101.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -82.96 -49.23 9.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -69.14 81.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.69 73.22 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.32 6.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 m -129.46 -56.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -69.62 98.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -140.31 169.42 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -128.34 95.14 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 -113.49 2.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -73.75 160.47 31.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -73.43 107.73 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 165.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 pt -126.43 154.37 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.56 -173.67 13.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -131.05 92.93 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.53 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -59.24 -34.76 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -74.77 -31.4 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 152.93 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.32 146.02 50.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 m -133.95 124.91 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.52 146.0 30.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 -148.0 12.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -121.77 -28.03 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.72 21.1 28.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 32' ' ' PHE . 43.0 mt -111.76 -32.34 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -103.34 -62.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -179.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.64 175.01 47.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -147.22 154.25 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -74.39 142.21 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 59.55 38.83 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -141.9 115.58 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 tpt -55.82 109.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 43.4 m -111.55 112.6 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -119.26 175.47 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.6 p90 -162.33 159.73 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.2 mm -93.84 150.12 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.18 109.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.03 110.51 21.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 p -131.98 12.82 4.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -80.61 -39.25 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -82.12 -13.01 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -44.7 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.5 -109.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 18.9 t80 -141.72 164.75 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' TYR . . . 129.78 168.4 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.39 160.13 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -111.25 134.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m -115.34 111.57 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.61 137.44 43.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.18 111.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 80' ' ' VAL . 95.1 t -93.49 125.12 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -117.41 92.8 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.51 -165.09 11.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.95 9.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -168.21 139.51 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -54.76 143.12 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -136.53 110.35 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -43.81 147.13 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' CG1' ' A' ' 68' ' ' VAL . 27.9 mt -132.15 110.94 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -106.86 125.81 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.0 p -120.2 154.88 34.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.32 145.0 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.57 122.67 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.2 mt -87.72 178.74 6.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -74.32 -33.46 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.73 -14.25 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.69 26.77 21.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -116.64 171.63 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 56.7 m -109.82 120.42 42.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -103.71 106.7 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 56' ' ' ILE . 39.2 t -82.78 146.34 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -140.2 132.83 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 34.5 p90 -143.55 153.42 42.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 19.3 t80 -121.92 99.38 44.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.78 143.89 52.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.1 p -123.17 -21.5 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -124.81 126.6 25.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.59 54.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.88 -148.79 18.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.586 HG13 HG23 ' A' ' 95' ' ' THR . 54.1 t -110.5 111.06 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -99.36 129.75 45.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 93' ' ' PRO . 34.4 mm -101.21 103.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 48' ' ' VAL . 78.1 t -87.0 102.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.4 100.17 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -101.17 108.57 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.586 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 13.5 mtmm -116.79 150.89 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 62.4 t80 -146.34 105.59 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 70.03 43.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.86 40.82 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -156.61 118.86 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 6.8 m-70 -69.38 133.58 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -47.43 156.18 0.66 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.33 -0.39 2.26 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.56 161.6 61.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HB2' HG23 ' A' ' 79' ' ' ILE . 53.5 Cg_endo -69.82 176.33 33.2 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.32 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.11 114.65 28.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 77' ' ' VAL . 87.1 m -88.91 100.63 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.156 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.33 111.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CD ' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -86.83 123.14 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mm -100.34 131.06 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m -57.67 -72.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.05 -28.34 9.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.72 -45.93 91.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.43 151.88 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.08 130.79 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.45 130.74 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -41.14 160.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.5 p -68.06 -44.71 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.91 81.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 158.19 57.82 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.2 m -133.75 121.61 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 t -83.61 -41.1 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -103.77 165.73 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.51 169.37 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 76.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -57.12 171.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -155.97 112.1 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.7 -107.96 3.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -111.34 175.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.42 -130.16 4.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -144.82 119.49 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -51.24 -44.53 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -43.76 -33.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -75.61 -35.65 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -52.13 140.56 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -123.37 144.59 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 3.6 m -133.55 131.19 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' HG21 ' A' ' 33' ' ' ILE . 2.5 p90 -146.98 135.35 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.1 151.39 6.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -61.3 -39.2 89.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -8.23 8.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 32' ' ' PHE . 27.8 mt -105.66 -23.01 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -99.73 -60.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -125.48 -178.56 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . 178.39 171.12 41.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -144.59 155.88 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.3 p -66.36 148.91 51.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 52.31 40.78 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -141.34 115.6 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.11 107.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 71.9 m -109.45 111.15 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 158.82 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' HD21 ' A' ' 21' ' ' LEU . 36.1 p90 -142.47 165.65 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.5 mm -99.83 147.46 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -125.09 106.33 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 5.8 t0 -86.81 109.77 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.49 29.64 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.09 -49.44 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -80.39 8.77 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.58 -49.19 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.5 -115.76 1.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -146.03 173.82 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.35 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.33 117.71 8.02 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.2 mt -90.1 126.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -106.15 114.26 28.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 HG22 ' A' ' 68' ' ' VAL . 9.6 mt -118.62 121.17 39.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.26 109.49 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 80' ' ' VAL . 87.6 t -88.87 113.2 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.64 103.95 13.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -127.52 -157.71 9.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.85 1.86 4.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -157.06 179.38 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -97.64 117.32 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 1.3 m -111.67 121.76 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.35 107.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 48' ' ' VAL . 6.2 mm -78.54 113.07 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -104.71 128.01 52.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.3 p -113.41 155.83 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -161.2 124.53 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 128.74 36.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -97.66 -179.9 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -29.82 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.79 -21.04 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.28 34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -125.19 167.3 15.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.0 t -111.57 106.48 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -85.72 92.19 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 42.3 t -73.57 140.06 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -134.43 129.14 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 5.3 p90 -140.07 142.3 36.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.3 t80 -115.16 101.64 54.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 53.6 Cg_endo -69.74 159.97 51.46 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 p -130.85 -42.36 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HD2' ' A' ' 75' ' ' PRO . 58.8 t -110.37 136.01 20.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG13 ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.72 145.91 58.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.34 -146.21 13.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.34 116.62 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.521 ' HD2' HG12 ' A' ' 48' ' ' VAL . 53.6 m-85 -99.71 115.96 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -86.32 103.41 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.906 HG22 HG22 ' A' ' 48' ' ' VAL . 91.4 t -85.88 100.3 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -80.47 97.43 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -101.52 111.72 24.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 88' ' ' HIS . 3.9 mtmp? -120.57 148.83 43.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -144.22 112.66 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 64.9 44.77 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 61.89 39.48 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -155.52 120.51 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 7.2 m-70 -65.39 131.08 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.7 m -44.24 156.03 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 88.59 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.61 11.03 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -91.11 162.26 32.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.3 Cg_endo -69.75 -179.33 18.86 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.398 -0.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.8 m-85 -111.61 115.7 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -89.87 111.36 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 21' ' ' LEU . 73.3 t -110.51 114.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -82.84 113.75 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.501 HG13 ' CD1' ' A' ' 78' ' ' TYR . 48.8 mm -97.19 126.93 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -94.0 129.5 40.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.21 56.15 0.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -129.3 -55.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.38 71.51 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -102.91 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.63 143.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.42 106.94 19.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -158.34 132.47 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.64 89.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -86.87 115.61 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -121.07 109.98 15.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -137.96 166.47 23.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -107.64 154.52 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.32 125.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -100.75 173.83 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -49.15 -56.09 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.07 56.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.17 150.08 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' TYR . . . -147.76 -178.28 22.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.92 95.04 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.34 -43.66 79.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 143.52 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.32 149.94 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 82' ' ' THR . 27.8 m -135.24 120.51 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 33' ' ' ILE . 3.7 p90 -137.46 130.09 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' N ' HD12 ' A' ' 21' ' ' LEU . . . 168.22 153.9 8.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -56.24 -44.86 80.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -10.27 12.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 32' ' ' PHE . 49.3 mt -96.78 -25.48 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -100.17 -53.74 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -137.85 -177.73 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.48 175.37 47.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -147.05 142.35 27.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.531 HG23 ' HA3' ' A' ' 100' ' ' GLY . 67.6 p -63.32 151.1 41.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 3.3 m-85 57.5 25.03 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.05 121.19 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.55 112.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 75.7 m -115.31 116.48 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 2.6 p-10 -125.53 176.19 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 21' ' ' LEU . 38.0 p90 -162.21 169.29 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 33' ' ' ILE . 3.9 mm -100.39 153.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG12 HG23 ' A' ' 36' ' ' THR . 91.8 t -130.12 98.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 109.7 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.583 HG23 HG12 ' A' ' 34' ' ' VAL . 48.1 p -123.67 -21.89 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -51.05 -41.26 59.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.35 -26.12 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.99 -56.09 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.11 -104.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' GLY . 22.3 t80 -151.44 155.8 39.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.959 0.409 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 156.15 163.12 11.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.65 123.35 11.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -97.76 132.31 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -122.78 112.43 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 68' ' ' VAL . 13.3 mt -117.71 130.75 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.47 118.69 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 80' ' ' VAL . 89.9 t -97.01 116.92 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -108.44 110.26 21.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.18 -157.55 7.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.02 11.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -156.95 150.64 24.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -72.76 130.47 40.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -121.52 138.51 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.55 105.54 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 48' ' ' VAL . 22.1 mm -79.68 119.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -114.47 126.39 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.593 HG21 HD12 ' A' ' 46' ' ' LEU . 30.7 p -121.76 155.2 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -161.04 132.16 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.82 129.98 41.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 ' OG1' ' A' ' 65' ' ' THR . 94.6 mt -97.29 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.71 -32.68 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.25 -18.19 64.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.81 34.63 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' HD12 ' A' ' 61' ' ' LEU . 27.5 p -131.04 167.22 19.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.11 120.61 42.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -95.43 107.41 19.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG22 HD13 ' A' ' 46' ' ' LEU . 11.3 t -83.01 143.69 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -138.23 137.06 37.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 16.8 p90 -148.9 148.05 29.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 31.7 t80 -119.48 99.2 50.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.0 Cg_endo -69.75 155.5 65.79 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -125.85 -34.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.6 132.75 23.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HB3' ' N ' ' A' ' 101' ' ' GLU . 53.3 Cg_endo -69.85 141.72 45.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.29 -145.63 10.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.46 111.82 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.31 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' HD2' HG12 ' A' ' 48' ' ' VAL . 57.6 m-85 -98.51 128.53 44.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -96.59 106.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 48' ' ' VAL . 75.7 t -87.38 110.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.8 p -87.84 99.23 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.572 HG21 HG11 ' A' ' 16' ' ' VAL . 2.5 m -101.87 106.99 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 23.5 mtmt -120.23 149.78 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -146.32 109.87 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.711 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 66.38 45.22 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 61.66 42.48 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 122.94 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.556 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.4 m-70 -73.73 132.7 42.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -46.24 156.26 0.49 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.608 0.718 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.82 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.57 -3.96 1.91 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -78.11 161.55 70.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.79 175.39 36.85 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.33 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 4.6 m-85 -107.67 121.84 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.8 m -93.81 109.67 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.83 120.25 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.58 113.96 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.829 HG22 ' H ' ' A' ' 100' ' ' GLY . 48.0 mm -82.42 142.43 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLU . 1.1 t -83.56 -20.11 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.829 ' H ' HG22 ' A' ' 98' ' ' ILE . . . -35.17 -31.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' SER . 12.4 mm-40 -40.06 -42.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.49 -124.25 2.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -162.67 106.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.4 109.74 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -102.57 80.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -168.46 111.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.09 94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.73 3.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -61.18 134.29 56.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.2 m -82.78 164.48 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -131.44 97.19 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -111.28 105.85 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.01 -72.12 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -42.85 164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 39.59 51.59 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 67.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt -126.01 164.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.2 171.49 43.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.27 107.39 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.91 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -52.79 -25.45 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.69 -30.57 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.37 131.42 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -110.23 155.74 21.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -142.42 124.72 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 33' ' ' ILE . 1.7 p90 -141.69 149.29 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.71 -142.72 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' CB ' HH11 ' A' ' 19' ' ' ARG . 6.2 ttm105 -126.99 -28.58 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.09 25.4 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -116.05 -34.53 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -100.25 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -120.28 -178.87 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.69 46.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.607 ' C ' HG23 ' A' ' 98' ' ' ILE . 20.8 mtt180 -148.37 -175.01 4.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.4 p -100.21 149.36 23.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 71' ' ' PHE . 3.3 m-85 62.48 35.41 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' CD ' ' HB2' ' A' ' 25' ' ' ARG . 2.8 pt-20 -141.74 129.28 21.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 tpt -65.27 105.73 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 46.9 m -105.65 104.07 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -114.39 163.71 14.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.08 151.59 32.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG21 ' CE1' ' A' ' 17' ' ' TYR . 6.7 mm -91.42 149.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 16' ' ' VAL . 24.5 t -125.6 101.77 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -81.31 113.47 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -131.46 30.32 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.75 -44.3 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.89 -26.36 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.04 57.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.36 -111.14 2.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -126.26 166.04 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . 149.86 150.91 5.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 118.88 5.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -89.65 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.2 m -115.05 110.87 20.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 mt -107.88 126.27 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.39 114.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -100.14 114.31 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.03 109.3 19.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.559 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -134.27 -167.57 11.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 p -142.46 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.08 124.0 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.1 m -121.0 116.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -56.07 141.42 40.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.76 115.64 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -112.58 123.58 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -112.74 160.66 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 7.7 tp10 -155.8 161.53 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -108.87 114.6 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.4 mt -86.67 -177.84 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.56 -30.98 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -65.27 -22.53 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.75 21.86 15.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 p -112.93 174.68 5.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.41 121.48 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -99.49 108.98 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 99.8 t -85.1 145.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -141.17 133.15 27.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 30' ' ' SER . 22.6 p90 -146.63 151.65 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.0 t80 -120.12 100.77 47.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 54.3 Cg_endo -69.74 143.78 52.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -120.18 -27.0 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.79 127.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.8 137.48 35.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.72 -146.13 9.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.19 107.42 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 77.1 m-85 -94.42 131.02 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -101.12 108.73 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.8 t -93.34 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -84.66 103.42 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -106.52 108.36 19.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 12.5 mtmm -117.11 151.67 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 52.0 t80 -146.1 105.62 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . 68.04 49.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 58.54 42.04 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -157.62 116.48 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.1 m-70 -66.41 132.44 48.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.5 m -45.31 155.99 0.42 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.64 0.733 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.48 -0.02 2.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.2 m -81.57 161.75 60.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.81 174.01 42.47 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.306 0.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.07 107.43 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.5 m -87.26 108.21 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.45 118.63 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -86.58 108.05 18.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.607 HG23 ' C ' ' A' ' 25' ' ' ARG . 41.0 mm -98.39 119.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -90.75 130.0 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' CA ' ' HB3' ' A' ' 75' ' ' PRO . . . -88.72 65.93 3.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -129.34 141.39 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 -126.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -126.45 161.59 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -44.37 151.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 137.79 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -113.37 166.24 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.99 84.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 t -89.11 146.81 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -122.4 116.92 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -100.48 146.22 27.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -122.28 42.44 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.0 103.9 0.48 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.81 119.27 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -106.18 148.28 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.26 -28.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mm -58.73 141.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.09 -146.71 17.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.91 120.92 14.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.25 -32.86 64.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -51.97 -43.8 63.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -74.74 -32.93 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 134.67 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -112.33 154.59 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.633 HG12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -137.97 122.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' A' ' 33' ' ' ILE . 1.1 p90 -136.11 139.49 42.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.02 -171.36 42.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -101.73 -25.52 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 28.35 6.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 32' ' ' PHE . 64.2 mt -120.36 -29.56 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -105.3 -59.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.61 -177.83 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.5 179.18 46.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -148.24 155.55 41.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.1 p -66.04 152.53 44.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CE2' ' NH2' ' A' ' 103' ' ' ARG . 3.5 m-85 49.69 33.17 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -132.93 117.02 17.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.0 ttm -62.02 114.88 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 65.7 m -116.79 99.72 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.98 155.74 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 21' ' ' LEU . 45.1 p90 -143.51 152.77 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm -93.3 151.88 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.659 HG12 HG23 ' A' ' 36' ' ' THR . 54.4 t -126.82 97.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.39 107.61 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.659 HG23 HG12 ' A' ' 34' ' ' VAL . 12.7 p -118.33 12.04 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -69.43 -43.94 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.64 -17.35 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.89 -61.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.78 -120.93 1.92 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -134.74 160.78 37.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.45 162.46 11.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.19 117.55 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -87.44 132.73 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.6 m -116.65 127.2 54.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -125.99 130.65 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.89 110.25 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 80' ' ' VAL . 78.0 t -93.44 119.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.96 105.38 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.44 -165.35 10.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -164.15 178.0 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -87.19 141.79 28.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -137.33 114.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.27 143.62 22.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.66 120.67 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -109.94 122.89 48.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -115.3 158.65 22.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -160.57 161.27 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.3 115.38 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.52 -177.16 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -84.42 -28.56 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.74 -18.08 65.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.87 23.59 27.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 35' ' ' ASP . 72.7 p -114.65 171.83 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.321 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.1 m -116.4 117.13 29.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -96.75 100.98 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 38.9 t -80.46 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.81 140.14 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 72' ' ' PRO . 12.7 p90 -150.23 152.85 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 10.3 t80 -123.02 101.86 38.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.697 0.76 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 53.5 Cg_endo -69.75 148.04 64.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -124.29 -26.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.54 131.66 24.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.644 0.735 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 140.42 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.19 -142.7 8.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 95' ' ' THR . 77.3 t -119.63 115.78 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' HD2' HG12 ' A' ' 48' ' ' VAL . 70.2 m-85 -103.77 115.1 29.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.8 mm -83.89 103.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 48' ' ' VAL . 71.9 t -89.42 104.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -86.61 98.16 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 m -98.67 111.44 23.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.454 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 4.2 mtmp? -119.3 150.05 40.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 20.0 t80 -146.22 105.89 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 84' ' ' PHE . . . 69.49 48.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.86 42.37 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -156.93 124.73 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.454 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.0 m-70 -75.01 131.75 40.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 m -46.76 156.23 0.54 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.735 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.49 7.15 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -87.41 162.03 43.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 92' ' ' SER . 54.0 Cg_endo -69.7 175.96 34.28 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.5 m-85 -106.3 113.03 26.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG13 ' A' ' 77' ' ' VAL . 78.6 m -91.73 107.58 19.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.31 107.07 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.59 109.74 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.7 mm -90.62 134.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -99.04 145.52 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.55 52.59 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -114.27 57.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.59 95.2 2.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' NH2' ' CE2' ' A' ' 27' ' ' PHE . 12.9 ptt180 -92.92 162.85 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.32 128.04 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -139.4 163.49 32.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.8 m -117.59 119.41 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.04 75.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.29 68.75 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 t -159.34 152.75 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.5 p -167.8 163.01 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -101.69 170.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -89.36 -54.79 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 147.26 18.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -53.38 -48.78 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -44.07 164.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.55 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 mm -123.01 137.54 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -152.79 20.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -138.58 115.45 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 -42.06 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -47.48 -43.97 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -72.11 -34.31 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.29 148.0 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -132.4 153.36 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 94' ' ' PHE . 9.0 m -139.39 132.85 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -145.28 125.08 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.4 154.19 12.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -68.22 -33.35 74.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.53 -6.42 58.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 96' ' ' VAL . 84.4 mt -94.1 -34.32 13.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -89.89 -55.89 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.8 -177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 98' ' ' ILE . . . -174.07 176.38 46.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -148.27 154.28 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.488 HG21 ' HD3' ' A' ' 75' ' ' PRO . 72.5 p -70.24 146.78 50.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 71' ' ' PHE . 4.9 m-85 54.13 39.7 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.25 117.83 10.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.8 tpt -61.17 109.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 70' ' ' TYR . 69.7 m -111.97 110.78 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -117.31 173.02 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' A' ' 68' ' ' VAL . 25.9 p90 -158.86 165.5 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 33' ' ' ILE . 4.5 mm -98.87 148.98 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 HG23 ' A' ' 36' ' ' THR . 79.9 t -128.24 98.43 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.12 117.17 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 32.6 p -126.03 -29.11 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -45.74 -40.89 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.93 -28.83 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.14 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.6 -122.37 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -136.9 166.43 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.935 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.37 175.72 14.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 131.24 10.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HG21 ' A' ' 36' ' ' THR . 68.2 mt -88.9 131.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -110.37 110.5 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.07 139.35 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.12 108.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 80' ' ' VAL . 57.8 t -92.13 122.65 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -116.61 107.74 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 78' ' ' TYR . . . -135.94 -164.01 10.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -8.42 23.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.44 169.89 22.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 137.45 37.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 72' ' ' PRO . 3.4 m -134.39 108.54 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -49.44 152.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.52 113.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.18 123.87 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 42.9 p -120.8 156.44 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -160.82 143.79 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.44 125.32 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.59 178.45 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -79.7 -18.12 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.44 -22.7 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.56 23.01 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 p -114.39 170.21 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 36.6 t -117.56 112.51 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -91.99 107.86 19.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 82.5 t -86.38 146.01 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -140.9 130.21 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.554 ' CD1' ' HD3' ' A' ' 72' ' ' PRO . 23.1 p90 -141.14 154.36 45.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 27' ' ' PHE . 32.1 t80 -122.95 99.09 41.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.65 0.738 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.78 148.72 65.53 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.605 2.203 . . . . 0.0 112.397 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.6 p -125.56 -25.28 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -125.17 124.76 25.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.488 ' HD3' HG21 ' A' ' 26' ' ' THR . 53.8 Cg_endo -69.75 137.94 36.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.17 -127.83 1.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.15 105.24 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 90.0 m-85 -97.03 126.83 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 93' ' ' PRO . 48.1 mm -96.5 105.26 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 48' ' ' VAL . 74.4 t -87.29 102.3 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -83.22 96.75 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -96.81 107.55 20.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CG ' ' CD2' ' A' ' 88' ' ' HIS . 26.6 mtmt -116.71 152.55 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -146.48 112.2 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.78 42.99 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t0 65.82 40.37 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -153.86 122.48 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 83' ' ' LYS . 7.5 m-70 -72.93 130.43 40.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 3.6 m -44.44 156.0 0.35 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.86 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.96 5.98 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 1.1 m -85.47 161.96 49.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 92' ' ' SER . 53.7 Cg_endo -69.8 179.49 22.22 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.344 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 16' ' ' VAL . 3.6 m-85 -109.63 109.31 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 m -86.22 104.72 16.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' LEU . 50.9 t -103.12 124.01 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -99.51 122.14 42.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.404 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 34.0 mm -95.39 131.93 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' GLU . . . 67.78 -156.24 52.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' GLY . 5.6 pt-20 -37.28 107.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' ARG . . . 145.54 41.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' GLY . 30.0 mmt180 -36.34 123.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.0 m -46.22 151.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 105' ' ' LYS . 3.1 pptp? -117.95 168.17 10.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.9 p -137.93 130.96 30.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 83.92 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -66.84 -51.44 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -50.93 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.975 . . . . . . . . 0 0 . 1 stop_ save_